SCHEMBL134890

SCHEMBL134890

N#Cc1c[c]ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPAS1 Q99814 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN9A Q15858 2/20 0.36
TRPA1 O75762 2/20 0.36
SCN5A Q14524 1/20 0.36
KDM1A O60341 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16720388 0.78 AURKA (0.39) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL6799885 0.76 ESR2 (0.38) PTPN5
SCHEMBL20329163 0.75 STS (0.44) KDM5AADORA1ALDH1A1MAPTHSD17B10
SCHEMBL16648679 0.74 SLC22A12 (0.34) AR
SCHEMBL28334386 0.74 LRRK2 (0.41) ADORA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL28633390 0.74 LRRK2 (0.41) MEN1ALDH1A1KMT2ATDP1MAOB
SCHEMBL4463855 0.74 DRD1 (0.35) CYP3A4SCN5AKIF11NISCHNOTUM
SCHEMBL731049 0.73 ESR2 (0.44) ADORA1ALDH1A1TSHRTDP1MAOB
SCHEMBL533257 0.73 KIF11 (0.47) MAPTSCN5AKIF11NISCHNOTUM
SCHEMBL6573034 0.73 KIF11 (0.47) MAPTSCN5AKIF11NISCHNOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116290-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME Platefuse, Inc. (US) 2023-01-11 EP disclosed
EP-4013402-A1 METHODS OF TREATING A SUBJECT WITH A CDC42-SPECIFIC INHIBITOR Children's Hospital Medical Center (US) 2022-06-22 EP disclosed
EP-3999053-A1 METHOD OF TREATING NEOPLASTIC DISEASES WITH A CDC42-SPECIFIC INHIBITOR Children's Hospital Medical Center (US) 2022-05-25 EP disclosed
US-20220061312-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME PLATEFUSE, INC. 2022-03-03 US disclosed
US-11172673-B2 Platelet storage methods and compositions for same CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-11-16 US disclosed
WO-2021034616-A1 METHODS OF TREATING A SUBJECT WITH A CDC42-SPECIFIC INHIBITOR CHILDREN' S HOSPITAL MEDICAL CENTER (US) 2021-02-25 WO disclosed
WO-2021011800-A1 METHOD OF TREATING NEOPLASTIC DISEASES WITH A CDC42-SPECIFIC INHIBITOR CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-01-21 WO disclosed
US-10405538-B2 Platelet storage methods and compositions for same CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-09-10 US disclosed
US-20190021307-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME PLATEFUSE, INC. 2019-01-24 US disclosed
US-10028503-B2 Platelet storage methods and compositions for same CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-07-24 US disclosed
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2005-09-01 US disclosed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP disclosed
WO-2005063254-A2 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS INC. (US) 2005-07-14 WO disclosed
WO-2005059180-A1 METHODS OF ATTACHING OLIGONUCLEOTIDES AND PEPTIDES TO SOLID SUPPORTS USING 2,4-HYDRAZIN- (1, 3, 5) TRIAZINE-ACTIVATED SOLID PHASES ILLUMINA, INC. (US) 2005-06-30 WO disclosed
US-20050136406-A1 Methods of attaching biological compounds to solid supports using triazine ILLUMINA, INC. 2005-06-23 US disclosed
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus TRIPEP AB (SE) 2005-05-05 US disclosed
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum TRIPEP AB (SE) 2004-09-16 US disclosed
WO-2004073703-A1 GLYCINAMIDE DERIVATIVE FOR INHIBITING HIV REPLICATION TRIPEP AB (SE) 2004-09-02 WO disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050096319-A1 Identification of compounds that inhibit replication of human immunodeficiency virus GALE, ENGASE, GLMN KDM5A 1415/4885ADORA1 3228/4885MEN1 4309/4885
US-10405538-B2 Platelet storage methods and compositions for same RHOA, ARHGDIB, ARHGDIA KDM5A 4068/4885ADORA1 1767/4885MEN1 1281/4885
US-20220061312-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME RHOA, ARHGDIB, ARHGDIA KDM5A 4068/4885ADORA1 1767/4885MEN1 1281/4885
US-11172673-B2 Platelet storage methods and compositions for same RHOA, ARHGDIB, ARHGDIA KDM5A 4068/4885ADORA1 1767/4885MEN1 1281/4885
US-20190021307-A1 PLATELET STORAGE METHODS AND COMPOSITIONS FOR SAME RHOA, ARHGDIB, ARHGDIA KDM5A 4068/4885ADORA1 1767/4885MEN1 1281/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B KDM5A 2286/4885ADORA1 65/4885MEN1 2654/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA KDM5A 1137/4885ADORA1 2979/4885MEN1 4269/4885
US-20050136406-A1 Methods of attaching biological compounds to solid supports using triazine CD2, CD4, MRPS35 KDM5A 939/4885ADORA1 4044/4885MEN1 1853/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 KDM5A 1919/4885ADORA1 66/4885MEN1 2879/4885
US-10028503-B2 Platelet storage methods and compositions for same RHOA, ARHGDIB, ARHGDIA KDM5A 4068/4885ADORA1 1767/4885MEN1 1281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.