SCHEMBL13633928

SCHEMBL13633928

Cc1ccc(C(=O)c2[nH]c(Cc3ccc(=O)[nH]n3)cc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ RAB9A P51151 5/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SRD5A2 P31213 1/20 0.33

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
SCHEMBL4763334 0.91 CYP3A4 (0.40) MEN1KMT2AALDH1A1CYP3A4RAB9A
SCHEMBL8293709 0.74 PTGS2 (0.46) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8906719 0.74 LMNA (0.37) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7679028 0.72 PTGS2 (0.44) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL5367001 0.72 MAPT (0.45) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL11808855 0.72 ALDH1A1 (0.41) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL8905800 0.71 AKR1B1 (0.54) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL5375899 0.71 LMNA (0.36) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8906007 0.70 CXCL8 (0.37) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8906334 0.70 PTGS2 (0.39) LMNAMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 — — US disclosed
US-7537762-B2 Human monoclonal antibodies to activin receptor-like kinase-1 AMGEN FREMONT, INC. (US) 2009-05-26 — — US disclosed
US-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2009-04-30 — — US disclosed
US-20070065444-A1 Human monoclonal antibodies to activin receptor-like kinase-1 AMGEN FREMONT INC. (US) 2007-03-22 — — US 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 (4 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-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNY LMNA 1304/4885MEN1 1512/4885KMT2A 2151/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P LMNA 4013/4885MEN1 4482/4885KMT2A 3148/4885
US-20070065444-A1 Human monoclonal antibodies to activin receptor-like kinase-1 SMAD3, SMAD2, ACVR1 LMNA 1734/4885MEN1 2610/4885KMT2A 1920/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 LMNA 1837/4885MEN1 1005/4885KMT2A 1798/4885

“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.

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