SCHEMBL5579196

SCHEMBL5579196

N#CSCc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
IDO1 P14902 8/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CA5A P35218 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3635722 0.80 CYP1A2 (0.64) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4863737 0.79 CYP1A2 (1.00) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29704539 0.75 CYP1A2 (0.50) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11353946 0.75 CYP1A2 (0.69) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6011647 0.75 CYP1A2 (0.69) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29457615 0.75 CYP1A2 (0.57) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2935836 0.75 CYP1A2 (0.50) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL549082 0.75 CYP1A2 (0.57) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11228484 0.73 CYP1A2 (0.80) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4921123 0.72 MAOA (0.52) MAPK1CYP1A2CYP2C9CYP2C19IDO1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253336-B Compounds for the treatment of cancer GTX公司 2023-11-21 CN disclosed
CN-106794174-B Compounds for the treatment of cancer GTX公司 2021-03-12 CN disclosed
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-3139919-B1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS INC (US) 2020-06-03 EP disclosed
EP-3139919-B1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS INC (US) 2020-06-03 EP disclosed
US-10155728-B2 Compounds for treatment of cancer GTX INC. (US) 2018-12-18 US disclosed
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US disclosed
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US disclosed
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 US disclosed
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 US disclosed
CN-106794174-A Compounds for the treatment of cancer GTX公司 2017-05-31 CN disclosed
EP-3139919-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2017-03-15 EP disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 US disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 US disclosed
WO-2015171628-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2015-11-12 WO disclosed
US-20070190544-A1 Methods of screening for resistance to microtuble-targeting drugs EMORY UNIVERSITY 2007-08-16 US disclosed
US-20050250853-A1 Beta-tubulin inhibitors GAUDREAULT RENE C 2005-11-10 US disclosed
US-20020115722-A1 SS tubulin inhibitors SOVAR, SOCIETE EN COMMANDITE (CA) 2002-08-22 US disclosed
WO-2001047504-A2 β-TUBELIN INHIBITORS AND THEIR USE AGAINST CANCER UNIVERSITé LAVAL (CA) 2001-07-05 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 (5 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-10155728-B2 Compounds for treatment of cancer TP53, TUBB1, TUBB6 MAPK1 3623/4885CYP1A2 4144/4885CYP3A4 3939/4885
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 MAPK1 3623/4885CYP1A2 4144/4885CYP3A4 3939/4885
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 MAPK1 3623/4885CYP1A2 4144/4885CYP3A4 3939/4885
US-20050250853-A1 Beta-tubulin inhibitors TUBB, TUBB1, TUBB3 MAPK1 1500/4885CYP1A2 2835/4885CYP3A4 2978/4885
US-20020115722-A1 SS tubulin inhibitors TUBB1, TUBB, TUBB3 MAPK1 1350/4885CYP1A2 2968/4885CYP3A4 2806/4885

“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.