Sugi Predict

Sugi Predict / Compounds / SCHEMBL1267795

SCHEMBL1267795

SCHEMBL1267795

COc1cccc(C#N)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TSHR P16473 2/20 0.54
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ TLR2 O60603 1/20 0.47
▸ ERN1 O75460 1/20 0.47
▸ TLR1 Q15399 1/20 0.47
▸ TLR6 Q9Y2C9 1/20 0.47
▸ IMPDH2 P12268 1/20 0.47

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
SCHEMBL4229681 0.80 KDM4E (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL28888727 0.80 KDM4E (0.63) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4257470 0.79 AR (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL12117010 0.79 AR (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL104280 0.79 POLB (0.66) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL29518610 0.79 POLB (0.66) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL6197525 0.78 MAOB (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3032522 0.78 CXCR2 (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
Syringol SCHEMBL156388 0.78 KDM4E (0.80) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL8718691 0.78 MAOA (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816964-B Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2023-02-10 — — CN claimed
CN-113816964-B Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2023-02-10 — — CN disclosed
CN-113816964-A Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2021-12-21 — — CN disclosed
EP-2874980-B1 IMPROVED PROCESS FOR PREPARATION OF 2,3-DIHYDROXY BENZONITRILE LAURUS LABS LTD (IN) 2017-11-22 — — EP disclosed
US-9567292-B2 Process for preparation of 2,3-dihydroxy benzonitrile LAURUS LABS PRIVATE LIMITED (IN) 2017-02-14 — — US disclosed
US-20150175532-A1 PROCESS FOR PREPARATION OF 2,3-DIHYDROXY BENZONITRILE LAURUS LABS PRIVATE LIMITED (IN) 2015-06-25 — — US disclosed
EP-2874980-A1 IMPROVED PROCESS FOR PREPARATION OF 2,3-DIHYDROXY BENZONITRILE Laurus Labs Private Limited (IN) 2015-05-27 — — EP disclosed
WO-2014013512-A1 IMPROVED PROCESS FOR PREPARATION OF 2,3-DIHYDROXY BENZONITRILE LAURUS LABS PRIVATE LIMITED (IN) 2014-01-23 — — WO disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-7879886-B2 such as N-benzyl-N-hydroxy-2-(3-hydoxypyridin-2-ene)-1,3-thiazolidine-4-carboxamide, used for reducing the population of Plasmodium in a human infested with Plasmodium protozoans and suffering from malaria UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-01 — — US disclosed
US-6864270-B2 Iron binding agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-08 — — US disclosed
EP-1488791-A2 Antimalarial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2004-12-22 — — EP disclosed
EP-1353670-A2 USE OF CHROMANES Bayer Aktiengesellschaft (DE) 2003-10-22 — — EP disclosed
US-20030083349-A1 Iron binding agents UNIVERSITY OF FLORIDA (US) 2003-05-01 — — US disclosed
US-20020177616-A1 Use of chromans BAYER AKTIENGESELLSCHAFT (DE) 2002-11-28 — — US disclosed
WO-2002055078-A2 USE OF CHROMANES FOR TREATING PARKINSON'S DISEASE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-18 — — WO disclosed
EP-1143951-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2001-10-17 — — EP disclosed
WO-2000016763-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-03-30 — — WO disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 — — WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 — — EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SMN1; SMN2 3728/4885ALDH1A1 934/4885KDM4E 1455/4885
US-20030083349-A1 Iron binding agents TFRC, SLC40A1, FECH SMN1; SMN2 2500/4885ALDH1A1 2200/4885KDM4E 767/4885
US-20020177616-A1 Use of chromans SNCA, PARK7, COMT SMN1; SMN2 21/4885ALDH1A1 631/4885KDM4E 3553/4885
US-20150175532-A1 PROCESS FOR PREPARATION OF 2,3-DIHYDROXY BENZONITRILE HAAO, HPD, HAO2 SMN1; SMN2 3762/4885ALDH1A1 327/4885KDM4E 397/4885

“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.