SCHEMBL5554679

SCHEMBL5554679

CC(=O)c1cc(N)ccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
CTNNB1 P35222 1/20 0.51
TSPO P30536 1/20 0.46
TTR P02766 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
KDR P35968 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2748501 0.87 CTNNB1 (0.54) BRD4CTNNB1TTRSMN1; SMN2CYP3A4
SCHEMBL31633492 0.86 ALDH1A1 (0.46) CYP3A4TP53MAPTPDE4AKDR
SCHEMBL3223768 0.84 HSD17B10 (0.52) BRD4CTNNB1TSPOTTRSMN1; SMN2
SCHEMBL27482498 0.83 BRD4 (0.49) BRD4CTNNB1TTRSMN1; SMN2CYP3A4
SCHEMBL5217469 0.81 ALDH1A1 (0.50) BRD4CTNNB1SMN1; SMN2CYP3A4LMNA
SCHEMBL2750155 0.81 ALDH1A1 (0.51) BRD4CTNNB1SMN1; SMN2CYP3A4LMNA
SCHEMBL9948495 0.81 CYP1A2 (0.54) CTNNB1TSPOSMN1; SMN2CYP3A4LMNA
SCHEMBL19524223 0.81 SCN8A (0.56) CTNNB1TSPOTTRSMN1; SMN2LMNA
SCHEMBL3179214 0.79 CTNNB1 (0.67) CTNNB1TSPOSMN1; SMN2LMNATP53
SCHEMBL29679671 0.79 CTNNB1 (0.67) CTNNB1TSPOSMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 BRD4 864/4885CTNNB1 3011/4885TSPO 4625/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 BRD4 864/4885CTNNB1 3011/4885TSPO 4625/4885

“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.