SCHEMBL7016284

SCHEMBL7016284

c1ccc(Oc2ccc(-n3cncn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2A6 P11509 1/20 0.47
TSHR P16473 2/20 0.44
MAPK10 P53779 2/20 0.44
MGLL Q99685 1/20 0.43
LTA4H P09960 2/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
FBP1 P09467 1/20 0.42
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL27961506 0.93 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL1009561 0.82 CYP2A6 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL28006297 0.81 CYP2A6 (0.62) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL27905069 0.80 SMN1; SMN2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL11249373 0.79 ALDH1A1 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL7657492 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL4667925 0.79 RAB9A (0.62) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL14556359 0.79 ICAM1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL2095205 0.78 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL2095209 0.78 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E

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
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH CYP1A2 552/4885CYP2D6 507/4885CYP2C9 393/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH CYP1A2 552/4885CYP2D6 507/4885CYP2C9 393/4885

“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.