Sugi Predict

Sugi Predict / Compounds / SCHEMBL6850002

SCHEMBL6850002

SCHEMBL6850002

COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ AR P10275 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ BDKRB1 P46663 2/20 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
SCHEMBL6850504 0.94 ALDH1A1 (0.46) ALDH1A1FNTAFNTBPGGT1BHPGD
SCHEMBL12173212 0.92 P2RX7 (0.41) ALDH1A1P2RX7ARMAPTHDAC6
SCHEMBL12173202 0.88 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMAPK1LMNA
SCHEMBL6849993 0.86 CYP1A2 (0.43) ALDH1A1HPGDTSHRP2RX7MAPK1
SCHEMBL12189717 0.85 ALDH1A1 (0.41) ALDH1A1HPGDTSHRP2RX7MAPK1
SCHEMBL3974372 0.82 BDKRB1 (0.48) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL6850532 0.81 ERCC5 (0.45) ALDH1A1HPGDHDAC6LMNAPPARG
SCHEMBL6849336 0.80 AGTR1 (0.39) ALDH1A1HPGDTSHRP2RX7MAPT
SCHEMBL12697048 0.79 ALDH1A1 (0.48) ALDH1A1FNTAFNTBPGGT1BHPGD
SCHEMBL7009871 0.79 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2BDKRB1

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
US-9527821-B2 Deprotection method for tetrazole compound API CORPORATION (JP) 2016-12-27 — — US disclosed
US-20150239854-A1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND API CORPORATION (JP) 2015-08-27 — — US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 — — US disclosed
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 (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-20150239854-A1 DEPROTECTION METHOD FOR TETRAZOLE COMPOUND AGTR2, AGTR1, REN ALDH1A1 1137/4885FNTA 2746/4885FNTB 1984/4885
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE ALDH1A1 906/4885FNTA 627/4885FNTB 369/4885

“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.