Sugi Predict

Sugi Predict / Compounds / SCHEMBL85584

SCHEMBL85584

SCHEMBL85584

Cc1cc([N+](=O)[O-])ccc1N1CCCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.53
▸ CASP6 P55212 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL5415229 0.99 TDP1 (0.52) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL24105032 0.96 TDP1 (0.55) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL30168136 0.96 TDP1 (0.55) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL8338200 0.86 AKR1C3 (0.46) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL17979815 0.84 TDP1 (0.51) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL14864868 0.84 POLB (0.51) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL14408303 0.83 POLB (0.53) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL12952745 0.83 POLB (0.53) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL16189968 0.83 ALDH1A1 (0.60) TDP1CASP6POLBAPEX1CTDSP1
SCHEMBL3675118 0.83 ALDH1A1 (0.48) TDP1CASP6POLBAPEX1CTDSP1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — WO disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 — — US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 — — US disclosed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 — — EP disclosed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 — — EP disclosed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 — — US disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 — — WO disclosed
WO-2004087696-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2004-10-14 — — WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 — — WO disclosed
EP-1414456-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2004-05-06 — — EP disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 — — WO disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 — — WO disclosed
WO-2003084533-A1 N-`4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL!-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-10-16 — — WO disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 — — 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH TDP1 2526/4885CASP6 1613/4885POLB 4226/4885
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors F11, F2, F12 TDP1 227/4885CASP6 1533/4885POLB 3521/4885

“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.