SCHEMBL318031

SCHEMBL318031

[CH2]c1ccc(OC)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TUBB1 Q9H4B7 5/20 0.48
KDM1A O60341 2/20 0.46
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP17A1 P05093 1/20 0.41
PTGS2 P35354 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ERN1 O75460 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL1099031 0.82 PAX8 (0.41) RAB9ALMNAMAPK1HTTALDH1A1
SCHEMBL27090 0.78 CA2 (0.54) MAPK1TUBB1ALDH1A1
SCHEMBL3063279 0.77 KCNQ3 (0.39) MEN1KMT2A
SCHEMBL7939757 0.77 KDM1A (0.50) RAB9AMAPK1HTTTUBB1KDM1A
SCHEMBL2811538 0.76 CA2 (0.41) MAPK1MEN1ALDH1A1KMT2A
SCHEMBL29366053 0.76 LMNA (0.53) RAB9ALMNAMAPK1HTTTUBB1
SCHEMBL197204 0.76 LMNA (0.53) RAB9ALMNAMAPK1HTTTUBB1
SCHEMBL9464193 0.76 CYP17A1 (0.61) RAB9ALMNAMAPK1HTTTUBB1
SCHEMBL11883 0.74 ACHE (0.62) RAB9ALMNAMAPK1HTTTUBB1
SCHEMBL352907 0.74 MAPT (0.47) LMNAMAPK1ALDH1A1SMN1; SMN2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 CN claimed
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases VIVORYON THERAPEUTICS N.V. (DE) 2023-04-20 US claimed
CN-114585608-A Heteroaromatic inhibitors of astacin protease 维沃永治疗公众有限公司 2022-06-03 CN claimed
EP-3986868-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES Vivoryon Therapeutics N.V. (DE) 2022-04-27 EP claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-113121517-A Triazole derivative and preparation method and application thereof 中山大学 2021-07-16 CN claimed
WO-2020249760-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES VIVORYON THERAPEUTICS AG (DE) 2020-12-17 WO claimed
EP-3750878-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES Vivoryon Therapeutics AG (DE) 2020-12-16 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
EP-3122751-B1 CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5916920-A CONTROLLING NEUROTRANSMITTER RECPETORS; NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
CN-1202103-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1998-12-16 CN claimed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases BMP1, DPEP1, MEP1A RAB9A 3956/4885LMNA 2719/4885MAPK1 2567/4885
US-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 RAB9A 1944/4885LMNA 4093/4885MAPK1 2911/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 RAB9A 2916/4885LMNA 1878/4885MAPK1 2021/4885

“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.