SCHEMBL6001645

SCHEMBL6001645

O=C1CC(c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.45
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
HRH3 Q9Y5N1 4/20 0.43
EEF2K O00418 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8873657 0.87 KDM4E (0.56) KDM4EHTR2BEEF2KALDH1A1LMNA
SCHEMBL181713 0.87 KDM4E (0.56) KDM4EHTR2BEEF2KALDH1A1LMNA
SCHEMBL29657292 0.87 KDM4E (0.56) KDM4EHTR2BEEF2KALDH1A1LMNA
SCHEMBL2794212 0.85 KDM4E (0.44) KDM4EHTR2AHTR2CHTR2BHRH3
SCHEMBL2490001 0.83 RAB9A (0.46) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL6591640 0.83 MAOB (0.53) KDM4EHTR2AHTR2CHTR2BHRH3
SCHEMBL8888324 0.83 KDM4E (0.45) RAB9AKDM4EEEF2KALDH1A1HTT
SCHEMBL5709329 0.82 SLC6A2 (0.50) RAB9A
SCHEMBL10069667 0.82 KDM4E (0.46) KDM4EEEF2KALDH1A1LMNAMAPT
SCHEMBL3671443 0.81 KDM4E (0.55) KDM4EEEF2KALDH1A1LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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 (1 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 RAB9A 1130/4885KDM4E 3953/4885HTR2A 1597/4885

“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.