SCHEMBL6850504

SCHEMBL6850504

COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.45
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EGFR P00533 1/20 0.38
HSD11B1 P28845 1/20 0.38
CD38 P28907 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
SCHEMBL6850002 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL12173202 0.94 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDERCC5
SCHEMBL6850532 0.87 ERCC5 (0.45) ALDH1A1KDM4EHPGDERCC5FEN1
SCHEMBL12173212 0.86 P2RX7 (0.41) ALDH1A1KDM4EMAPTLMNA
SCHEMBL12697048 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL6849993 0.81 CYP1A2 (0.43) ALDH1A1KDM4EHPGDERCC5FEN1
SCHEMBL12173204 0.81 ERCC5 (0.45) ALDH1A1ERCC5FEN1LMNAHSD11B1
SCHEMBL12098821 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDERCC5
SCHEMBL3974372 0.80 BDKRB1 (0.48) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL12189717 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
WO-2011061996-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE 田辺三菱製薬株式会社 (JP) 2011-05-26 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 (1 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-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE ALDH1A1 906/4885KDM4E 1938/4885MAPT 3267/4885

“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.