Sugi Predict

Sugi Predict / Compounds / SCHEMBL1059617

SCHEMBL1059617

SCHEMBL1059617

COC(=O)c1cc(Cl)cc(I)c1N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.51
▸ KDM4E B2RXH2 8/20 0.46
▸ POLB P06746 1/20 0.46
▸ CFTR P13569 2/20 0.45
▸ GAA P10253 8/20 0.45
▸ ALDH1A1 P00352 8/20 0.44
▸ HPGD P15428 6/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SERPINH1 P50454 1/20 0.43
▸ GLA P06280 3/20 0.43
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ NQO2 P16083 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL140598 0.82 KDM4E (0.61) ABL1KDM4EPOLBGAAALDH1A1
SCHEMBL15390859 0.82 ABL1 (0.46) ABL1KDM4ECFTRGAAALDH1A1
SCHEMBL505256 0.82 ABL1 (0.64) ABL1KDM4EPOLBCFTRGAA
SCHEMBL28825145 0.82 ALDH1A1 (0.53) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL1003428 0.81 ABL1 (0.53) ABL1KDM4EPOLBCFTRGAA
SCHEMBL27183611 0.81 ABL1 (0.45) ABL1CFTRGAAALDH1A1HPGD
SCHEMBL3224195 0.81 ABL1 (0.45) ABL1KDM4EPOLBCFTRGAA
SCHEMBL16939383 0.81 KDM4E (0.47) ABL1KDM4EPOLBCFTRGAA
SCHEMBL1056378 0.81 ABL1 (0.53) ABL1KDM4EPOLBCFTRGAA
SCHEMBL1527688 0.79 CFTR (0.49) ABL1KDM4EPOLBCFTRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 — — US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 — — US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 — — US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 — — US disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 — — EP disclosed
CN-102510862-A 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RES INC 2012-06-20 — — CN disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 — — EP disclosed
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 — — US disclosed
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 — — US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 — — WO disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 — — EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 — — WO disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 — — US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 — — US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 — — WO disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 — — CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 — — EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — 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 (4 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP ABL1 1693/4885KDM4E 2662/4885POLB 1819/4885
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B ABL1 4144/4885KDM4E 3629/4885POLB 4235/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B ABL1 4144/4885KDM4E 3629/4885POLB 4235/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC ABL1 198/4885KDM4E 1828/4885POLB 1741/4885

“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.