SCHEMBL721649

SCHEMBL721649

Oc1cccc2[nH]c[c]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
HTR2A P28223 8/20 0.36
HTR2B P41595 5/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
DNMT1 P26358 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1966793 0.74 FFAR1 (0.41) HTR2CHTR2AHTR2BCA12DAO
SCHEMBL321694 0.74 GPR84 (0.41) GAALMNACA12DAO
SCHEMBL1539241 0.69 CA1 (0.39) HTR2CHTR2AHTR2BALDH1A1TDP1
SCHEMBL27479367 0.68 HTR2C (0.34) HTR2C
SCHEMBL6580047 0.67 AKR1C3 (0.46) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL20786886 0.67
SCHEMBL6953767 0.65 IMPDH2 (0.35) HTR2CHTR2AALDH1A1RECQLTDP1
SCHEMBL7288932 0.65 HPGD (0.35) HTR2CALDH1A1RECQLTDP1KDM4E
SCHEMBL7278735 0.65 IMPDH2 (0.39) HTR2CHTR2AALDH1A1RECQLTDP1
SCHEMBL1538 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP claimed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US claimed
WO-2016004297-A1 NOVEL INHIBITORS OF TRYPANOSOMA BRUCEI METHIONYL T-RNA SYNTHETASE (TB METRS) FOR THE TREATMENT OF AFRICAN TRYPANOSOMIASIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO claimed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
CN-111297931-A Broccoli total effective part extract and preparation method and application thereof 成都市三禾田生物技术有限公司 2020-06-19 CN disclosed
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20130267568-A1 (1,2,3-Triazolyl)sulfonyl Derivatives MAEHR HUBERT (US) 2013-10-10 US disclosed
WO-2013032522-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-03-07 WO disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 US disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US 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 (3 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-20130267568-A1 (1,2,3-Triazolyl)sulfonyl Derivatives IL1B, IL1A, NOD1 HTR2C 2216/4885HTR2A 3034/4885HTR2B 3650/4885
US-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 HTR2C 2254/4885HTR2A 2656/4885HTR2B 2582/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 HTR2C 370/4885HTR2A 457/4885HTR2B 605/4885

“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.