SCHEMBL436125

SCHEMBL436125

COCC(=N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
AKT1 P31749 1/20 0.40
BLM P54132 1/20 0.39
KMT2A Q03164 4/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL434575 0.78 PARP1 (0.44) L3MBTL1ATMKMT2AHPGDPOLB
SCHEMBL22668007 0.77 HTT (0.37) TSHRF2F10F12F7
SCHEMBL28119507 0.76 TSHR (0.44) TSHRF2MAPK1HTTLMNA
SCHEMBL9047896 0.74 TSHR (0.43) TSHRMAPK1HTTLMNAL3MBTL1
SCHEMBL27209008 0.74 ATM (0.47) TSHRMAPK1HTTLMNAL3MBTL1
SCHEMBL3966940 0.74 ATM (0.47) TSHRMAPK1HTTLMNAL3MBTL1
SCHEMBL10513166 0.73 ATM (0.50) F2F10F12F7F3
SCHEMBL7068869 0.73 TSHR (0.41) TSHRMAPK1HTTLMNAL3MBTL1
SCHEMBL58239 0.73 MAOA (0.47) TSHRMAPK1HTTAKT1HPGD
SCHEMBL29875319 0.73 ALDH1A1 (0.41) TSHRMAPK1HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3289876-B1 COMPOUNDS FOR TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2022-07-20 EP disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
EP-2303021-B1 COMPOUNDS FOR THE TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2018-12-19 EP disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
EP-2959900-B1 COMPOUND FOR TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2017-03-08 EP disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
WO-2016088747-A1 HYDRAZONE DERIVATIVE AND PEST CONTROL AGENT 日産化学工業株式会社 2016-06-09 WO disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (8 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY TSHR 2209/4885F2 522/4885F10 774/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TSHR 4138/4885F2 1274/4885F10 1059/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TSHR 3025/4885F2 5/4885F10 13/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TSHR 4138/4885F2 1274/4885F10 1059/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885F2 1274/4885F10 1059/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885F2 1274/4885F10 1059/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TSHR 3025/4885F2 5/4885F10 13/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TSHR 4138/4885F2 1274/4885F10 1059/4885

“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.