SCHEMBL1095141

SCHEMBL1095141

Fc1cc(Br)ccc1N=C=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1096281 0.84 NAAA (0.36) NAAAKDM1AKDM1BDGAT1ALDH1A1
SCHEMBL1021390 0.80 DGAT1 (0.40) NAAAKDM1AKDM1BDGAT1ALDH1A1
SCHEMBL188261 0.79 ALOX15 (0.38) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL29564714 0.79 ALDH1A1 (0.38) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL156589 0.79 ALDH1A1 (0.38) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL2719590 0.77 KDM1A (0.36) KDM1AKDM1BDGAT1ALDH1A1HPGD
SCHEMBL348654 0.76 ALDH1A1 (0.33) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL990169 0.76 ABCB11 (0.33) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL1457482 0.76 SIGMAR1 (0.44) ALDH1A1HPGDABCB11NR3C1CYP1A2
SCHEMBL30298623 0.76 HTR2B (0.33) ALDH1A1HPGDABCB11NR3C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221309-B1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-11-13 EP claimed
EP-3253750-B1 NOVEL FLAVONE BASED EGFR INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-04-10 EP claimed
US-10221165-B2 Flavone based EGFR inhibitors and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-05 US claimed
US-20180016268-A1 Novel Flavone Based EGFR Inhibitors and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-01-18 US claimed
US-9862712-B2 Benzimidazole based EGFR inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-01-09 US claimed
EP-3221309-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS Council of Scientific and Industrial Research (IN) 2017-09-27 EP claimed
US-20170267671-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-21 US claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
WO-2016125186-A1 NOVEL FLAVONE BASED EGFR INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 WO claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
WO-2016079763-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO claimed
US-20250042883-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2025-02-06 US disclosed
EP-3446689-B1 ISOTHIOCYANATE COMPOUND FOR USE IN THE TREATMENT OF HYPERBILIRUBINEMIA JC WUXI COMPANY INC (CN) 2025-01-08 EP disclosed
CN-118873522-A Application of isothiocyanate compound 无锡杰西医药股份有限公司 2024-11-01 CN disclosed
CN-113262218-B Use of isothiocyanate compounds 无锡杰西医药股份有限公司 2024-06-18 CN disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
US-4380466-A HERBICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-04-19 US disclosed
EP-0040849-A1 Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds Takeda Chemical Industries, Ltd. (JP) 1981-12-02 EP disclosed
US-4138242-A Novel 2-aryl-2,3,5,6,7,8-hexahydro-3-thioxoimidazo-[1,5-a-]pyridin-1(BaH)-ones as herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-02-06 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 (6 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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 NAAA 3936/4885KDM1A 1678/4885KDM1B 1304/4885
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NAAA 239/4885KDM1A 488/4885KDM1B 495/4885
US-20170267671-A1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS EGFR, ERBB4, ERBB2 NAAA 4488/4885KDM1A 2264/4885KDM1B 1743/4885
US-20250042883-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR NAAA 3212/4885KDM1A 3629/4885KDM1B 3433/4885
US-20180016268-A1 Novel Flavone Based EGFR Inhibitors and Process for Preparation Thereof EGFR, ERBB2, ABL1 NAAA 3888/4885KDM1A 1944/4885KDM1B 2500/4885
US-10221165-B2 Flavone based EGFR inhibitors and process for preparation thereof EGFR, ERBB2, ABL1 NAAA 3983/4885KDM1A 1662/4885KDM1B 2143/4885

“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.