SCHEMBL782281

SCHEMBL782281

Cc1cc(N)sc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.49
APP P05067 2/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 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
SCHEMBL2396550 0.73 MAPT (0.63) ALDH1A1TDP1CYP3A4TSHRAPP
SCHEMBL29385195 0.71 HSD17B10 (0.48) ALDH1A1TDP1CYP3A4TSHRAPP
SCHEMBL11211537 0.70 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL8986919 0.69 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRAPP
SCHEMBL28650535 0.69 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL16429878 0.68 ACHE (0.54) ALDH1A1TDP1CYP3A4TSHRAPP
SCHEMBL3886944 0.68 MAPT (0.89) ALDH1A1TDP1CYP3A4TSHRAPP
SCHEMBL12491432 0.68 MAPT (0.61) ALDH1A1APPMAPTMEN1KMT2A
SCHEMBL85646 0.67 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL28198 0.67 CA1 (0.67) ALDH1A1TDP1APPMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552312-B Synthetic method of Ruogeli or salt thereof 杭州科巢生物科技有限公司 2022-08-05 CN disclosed
CN-111440188-B Preparation method of Relugol (Relugolix) key intermediate 江苏海悦康医药科技有限公司 2022-03-08 CN disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
EP-1591446-B1 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-03-06 EP disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-8058280-B2 Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 US disclosed
US-20110172249-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2011-07-14 US disclosed
EP-2329823-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY Takeda Pharmaceutical Company Limited (JP) 2011-06-08 EP disclosed
US-20030176360-A1 Medicinal preparations for treating sex hormone-dependent diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-09-18 US disclosed
US-20030134863-A1 Preventives/remedies for alzheimer's disease TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-07-17 US disclosed
EP-1319409-A1 SOLID PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2003-06-18 EP disclosed
EP-1297850-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-04-02 EP disclosed
EP-1291023-A1 SUSTAINED RELEASE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2003-03-12 EP disclosed
CN-1349536-A Thienopyrimidine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN disclosed
US-6340686-B1 GONADOTROPIN-RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-1163244-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed
US-6297379-B1 GONADOTROPIN RELEASING HORMONE (GNRH, SOMETIMES CALLED LH-RH (LUTEINIZING HORMONE RELEASING HORMONE)) ANTAGONIZING ACTIVITY, TREATING SEX HORMONE-DEPENDENT DISEASES. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-02 US disclosed
WO-2000056739-A1 THIENOPYRIMIDINE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-28 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-20030134863-A1 Preventives/remedies for alzheimer's disease ACHE, GNRHR, PSEN1 ALDH1A1 2627/4885TDP1 478/4885CYP3A4 4417/4885
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ALDH1A1 1567/4885TDP1 1497/4885CYP3A4 826/4885
US-20110172249-A1 METHOD FOR IMPROVING ABSORBABILITY OF PREPARATION, AND PREPARATION HAVING IMPROVED ABSORBABILITY SI, SLC10A2, FABP2 ALDH1A1 1597/4885TDP1 4326/4885CYP3A4 137/4885
US-20030176360-A1 Medicinal preparations for treating sex hormone-dependent diseases SHBG, GNRHR, NR5A1 ALDH1A1 3022/4885TDP1 2877/4885CYP3A4 3383/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ALDH1A1 1567/4885TDP1 1497/4885CYP3A4 826/4885

“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.