SCHEMBL5549544

SCHEMBL5549544

Cc1cc(N)ccc1Oc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
PLA2G7 Q13093 1/20 0.49
CYP3A4 P08684 1/20 0.46
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
RHEB Q15382 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP4K4 O95819 1/20 0.38
CXCL8 P10145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29549546 0.87 ALDH1A1 (0.48) ARPLA2G7CYP3A4SLC6A2SLC6A4
SCHEMBL25500740 0.86 AR (0.60) ARPLA2G7CYP3A4SLC6A2SLC6A4
SCHEMBL632218 0.85 CYP3A4 (0.46) ARPLA2G7CYP3A4SLC6A2SLC6A4
SCHEMBL5552568 0.85 SMN1; SMN2 (0.47) ARSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4329985 0.83 ALDH1A1 (0.56) CYP3A4ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL30473086 0.83 ALDH1A1 (0.56) CYP3A4ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL11422802 0.82 MAPT (0.51) ARCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL10962597 0.82 ESRRA (0.47) ARPLA2G7CYP3A4SLC6A2SLC6A4
SCHEMBL5553236 0.81 AR (0.50) ARCYP3A4ALDH1A1MAPTL3MBTL1
SCHEMBL5548927 0.79 MEN1 (0.49) SLC6A2SLC6A3ALDH1A1RHEBMAP4K4

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 AR 1219/4885PLA2G7 3400/4885CYP3A4 449/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 AR 1219/4885PLA2G7 3400/4885CYP3A4 449/4885

“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.