SCHEMBL3012580

SCHEMBL3012580

O=C(O)C1=CC=CC(c2ccc(F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX1 P07099 1/20 0.33
NPC1L1 Q9UHC9 2/20 0.33
KMT2A Q03164 1/20 0.32
NR3C2 P08235 1/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
NR4A2 P43354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
FADS1 O60427 1/20 0.31

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
SCHEMBL3018017 0.82 MEN1 (0.40) HTR7KMT2AKDM4ELMNA
SCHEMBL7415459 0.67 ALDH1A1 (0.36) KMT2AKDM4E
SCHEMBL7600368 0.66 TSHR (0.33) KMT2A
SCHEMBL8637321 0.66 TSHR (0.33) KMT2A
SCHEMBL1651760 0.66 TSHR (0.33) KMT2A
SCHEMBL9575751 0.65 TSHR (0.32) KMT2A
SCHEMBL1947381 0.59 EPHX1 (0.32) HTR7EPHX1NPC1L1KMT2AKDM4E
SCHEMBL20887042 0.59 CYP19A1 (0.41) HPGDKMT2AKDM4ELMNA
SCHEMBL29345944 0.59 TSHR (0.31) KMT2A
SCHEMBL1533280 0.57 TDP1 (0.35) EPHX1KMT2AFADS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 HTR7 3233/4885BCL2L1 1995/4885BAD 1511/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 HTR7 2727/4885BCL2L1 2318/4885BAD 1549/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 HTR7 2569/4885BCL2L1 2411/4885BAD 1558/4885

“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.