SCHEMBL558876

SCHEMBL558876

O=c1ccccn1C(=S)n1ccccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP3 P08254 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
LOX P28300 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
LOXL3 P58215 1/20 0.34
LOXL4 Q96JB6 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
PSMB1 P20618 1/20 0.31
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6174489 0.80 POLB (0.34) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL22058870 0.80 NPC1 (0.39) RAB9AKDM4E
SCHEMBL9711587 0.79 POLB (0.33) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL620180 0.78 TSHR (0.37) RAB9APOLBNPSR1TSHRADORA3
SCHEMBL8698153 0.78 TSHR (0.37) RAB9APOLBNPSR1TSHRADORA3
SCHEMBL2703082 0.76 MAPT (0.38) RAB9ANPSR1TSHRPSMB1IDH1
SCHEMBL8677952 0.74 NOTUM (0.48) POLBTSHRKDM4E
SCHEMBL27500883 0.74 POLB (0.36) POLBNPSR1TSHRADORA3PSMB1
SCHEMBL1505859 0.74 BCHE (0.39) POLBNPSR1TSHRPSMB1KDM4E
SCHEMBL23732646 0.73 PSMB1 (0.36) PTGS1RAB9APOLBNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119789746-A Solar cell and preparation method thereof 北京曜能光电科技有限公司 2025-04-08 CN claimed
CN-118638097-A Preparation of diaryl thiohydantoin Process for the preparation of ureide compounds 阿拉贡药品公司 2024-09-13 CN claimed
CN-107108507-B Process for preparing diaryl thiohydantoin compounds 阿拉贡药品公司 2024-05-28 CN claimed
CN-111620849-B Process for preparing diaryl thiohydantoin compounds 阿拉贡药品公司 2023-11-14 CN claimed
WO-2023122842-A1 METHOD FOR PREPARING APALUTAMIDE, SYNTHESIS INTERMEDIARIES, AND AMORPHOUS SOLID DISPERSION CONTAINING APALUTAMIDE GADOR LIMITADA (CL) 2023-07-06 WO claimed
CN-111620849-A Process for preparing diarylthiohydantoin compounds 阿拉贡药品公司 2020-09-04 CN claimed
US-10723714-B2 Processes for the preparation of a diarylthiohydantoin compound ARAGON PHARMACEUTICALS, INC. (US) 2020-07-28 US claimed
CN-107108553-B Process for preparing diarylthiohydantoin compounds 阿拉贡药品公司 2020-04-28 CN claimed
US-20190284156-A1 Processes For The Preparation Of A Diarylthiohydantoin Compound ARAGON PHARMACEUTICALS INC (US) 2019-09-19 US claimed
US-10316015-B2 Processes for the preparation of a diarylthiohydantoin compound ARAGON PHARMACEUTICALS, INC. (US) 2019-06-11 US claimed
US-9688655-B2 Process for the preparation of a diarylthiohydantoin compound JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US claimed
WO-2016100645-A1 PROCESSES FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND ARAGON PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
WO-2016100652-A2 PROCESS FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND ARAGON PHARMACEUTICALS, INC. (US) 2016-06-23 WO claimed
US-20160176844-A1 PROCESSES FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 US claimed
US-20160176845-A1 PROCESS FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 US claimed
US-20160002298-A1 AMATOXIN DERIVATIVES HEIDELBERG PHARMA GMBH (DE) 2016-01-07 US claimed
EP-2774624-A1 Amatoxin derivatives Heidelberg Pharma GmbH (DE) 2014-09-10 EP claimed
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US claimed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US claimed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20160002298-A1 AMATOXIN DERIVATIVES C3AR1, TNFSF10, ANXA5 ESR1 3588/4885HSP90AA1 2688/4885MMP3 2413/4885
US-20160176845-A1 PROCESS FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND BPHL, CYP4X1, KLK3 ESR1 1106/4885HSP90AA1 2796/4885MMP3 3139/4885
US-20160176844-A1 PROCESSES FOR THE PREPARATION OF A DIARYLTHIOHYDANTOIN COMPOUND BPHL, CYP4X1, KLK3 ESR1 861/4885HSP90AA1 2589/4885MMP3 3282/4885
US-10723714-B2 Processes for the preparation of a diarylthiohydantoin compound BPHL, CYP4X1, KLK3 ESR1 861/4885HSP90AA1 2589/4885MMP3 3282/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 ESR1 2571/4885HSP90AA1 1238/4885MMP3 4671/4885
US-20190284156-A1 Processes For The Preparation Of A Diarylthiohydantoin Compound BPHL, CYP4X1, KLK3 ESR1 861/4885HSP90AA1 2589/4885MMP3 3282/4885
US-10316015-B2 Processes for the preparation of a diarylthiohydantoin compound BPHL, CYP4X1, KLK3 ESR1 861/4885HSP90AA1 2589/4885MMP3 3282/4885

“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.