SCHEMBL3221190

SCHEMBL3221190

COc1cccc(OC)c1C(=O)c1cc2ccccc2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
CNR2 P34972 2/20 0.49
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 3/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
TLR8 Q9NR97 1/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NQO2 P16083 2/20 0.41

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
SCHEMBL3222683 0.84 TLR8 (0.57) MAPTSMN1; SMN2RAB9ACNR2ALDH1A1
SCHEMBL12969936 0.77 TLR8 (0.62) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL20098513 0.77 KDM4E (0.57) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL31105839 0.77 KDM4E (0.57) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL20513135 0.76 ALOX5 (0.64) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL20513452 0.76 ALOX5 (0.64) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4714235 0.76 CNR2 (0.49) RAB9ACNR2ALDH1A1KDM4EPOLB
SCHEMBL3222757 0.75 EGFR (0.49) MAPTSMN1; SMN2RAB9ACNR2ALDH1A1
SCHEMBL3705378 0.75 CNR2 (0.51) MAPTSMN1; SMN2RAB9ACNR2ALDH1A1
SCHEMBL3144090 0.75 KDM4E (0.55) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MAPT 73/4885SMN1; SMN2 1722/4885RAB9A 2101/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MAPT 73/4885SMN1; SMN2 1722/4885RAB9A 2101/4885

“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.