SCHEMBL8931460

SCHEMBL8931460

COc1ccc(N=C=S)c2ccn(C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2C P18825 1/20 0.31
MAOA P21397 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
CCR2 P41597 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2C P28335 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL12870794 0.81 ALDH1A1 (0.32) ALDH1A1HTR2C
SCHEMBL929611 0.73 IDO1 (0.44) ALDH1A1CYP3A4HSD17B10TDP1HTR2C
SCHEMBL14345499 0.71 HTR2C (0.33) ALDH1A1HTR2C
SCHEMBL6395292 0.69 ALDH1A1 (0.50) APLNRABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL19620886 0.69 HTR2C (0.31) ADRA2AHTR2C
SCHEMBL931260 0.68 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL19564699 0.66 HTR2A (0.41) ALDH1A1CYP3A4HPGDALOX15HSD17B10
SCHEMBL6117909 0.66 APLNR (0.40) APLNRALDH1A1CYP3A4HPGDTDP1
SCHEMBL4398198 0.65 APLNR (0.42) APLNRALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL331765 0.65 APLNR (0.53) APLNRABCB11ALDH1A1NR3C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-7825148-B2 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 US disclosed
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed
WO-2007139951-A9 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP (US) 2008-01-31 WO disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 APLNR 4830/4885ABCB11 1549/4885ALDH1A1 3525/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P APLNR 4403/4885ABCB11 171/4885ALDH1A1 2496/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 APLNR 4360/4885ABCB11 1278/4885ALDH1A1 1036/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 APLNR 4830/4885ABCB11 1549/4885ALDH1A1 3525/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 APLNR 2427/4885ABCB11 1884/4885ALDH1A1 774/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 APLNR 2427/4885ABCB11 1884/4885ALDH1A1 774/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 APLNR 3191/4885ABCB11 1522/4885ALDH1A1 743/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 APLNR 2185/4885ABCB11 1272/4885ALDH1A1 1385/4885

“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.