Sugi Predict

Sugi Predict / Compounds / SCHEMBL6648792

SCHEMBL6648792

SCHEMBL6648792

COC(=O)c1cc(C=O)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RECQL P46063 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL16961951 0.88 HTT (0.51) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL7594755 0.86 SMN1; SMN2 (0.50) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL5219109 0.85 POLB (0.49) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL5219115 0.85 POLB (0.49) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL5219126 0.85 POLB (0.49) HTTSMN1; SMN2GAAALDH1A1POLB
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.85 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL561284 0.85 HTT (0.64) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL8888014 0.84 ALOX5 (0.49) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL5943743 0.83 ERN1 (0.59) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL14192215 0.82 ALDH1A1 (0.53) HTTSMN1; SMN2ALDH1A1MEN1KMT2A

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
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 — — WO disclosed
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 — — EP disclosed
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 — — US disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 — — WO disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 — — US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 — — 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 HTT 3961/4885SMN1; SMN2 3698/4885GAA 1836/4885

“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.