SCHEMBL4865337

SCHEMBL4865337

O=C(CCl)Nc1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
CLK1 P49759 1/20 0.63
RECQL P46063 1/20 0.61
PABPC1 P11940 3/20 0.60
EIF4H Q15056 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
P2RX7 Q99572 1/20 0.60
HDAC6 Q9UBN7 1/20 0.58
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL29728211 1.00 ALDH1A1 (1.00) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL28270221 0.89 HTT (0.81) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL9186736 0.88 ALDH1A1 (0.79) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL6030648 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL21296583 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL6030652 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL8402846 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL27617527 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL2639029 0.82 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL4861658 0.82 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE 2024-04-25 US disclosed
US-20240123078-A1 COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS VIVIDION THERAPEUTICS, INC. 2024-04-18 US disclosed
CN-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed
US-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN VIVIDION THERAPEUTICS, INC. 2022-09-22 US disclosed
EP-4045050-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS The Scripps Research Institute (US) 2022-08-24 EP disclosed
CN-109265451-B Butyrylcholinesterase selective inhibitor and preparation method and application thereof 中国药科大学 2022-07-15 CN disclosed
WO-2022132609-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-06-23 WO disclosed
WO-2021076755-A1 AN ACTIVITY-GUIDE MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-22 WO disclosed
WO-2021076755-A1 AN ACTIVITY-GUIDE MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-22 WO disclosed
US-20210002337-A1 IN VIVO ENGINEERED CEREBLON PROTEIN THE SCRIPPS RESEARCH INSTITUTE 2021-01-07 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP 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 (7 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-20220298213-A1 IN VIVO ENGINEERED CEREBLON PROTEIN CRBN, CDR2, DCUN1D4 ALDH1A1 2798/4885LMNA 1798/4885HTT 3236/4885
US-20240123078-A1 COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS CD4, ICOS, NFATC1 ALDH1A1 4719/4885LMNA 4512/4885HTT 3649/4885
US-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A ALDH1A1 3345/4885LMNA 2498/4885HTT 3924/4885
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS GSTK1, GSTA2, GSTA1 ALDH1A1 1423/4885LMNA 4748/4885HTT 4016/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 ALDH1A1 68/4885LMNA 3352/4885HTT 2520/4885
US-20210002337-A1 IN VIVO ENGINEERED CEREBLON PROTEIN CRBN, CDR2, DCUN1D4 ALDH1A1 2798/4885LMNA 1798/4885HTT 3236/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 245/4885LMNA 2835/4885HTT 2557/4885

“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.