SCHEMBL349302

SCHEMBL349302

S=C=Nc1ccc(CBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.68
MIF P14174 3/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
PNMT P11086 1/20 0.33
RAD1 O60671 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LTA P01374 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL347652 0.84 P2RY6 (0.79) P2RY6MIFCA1CA2HSD17B10
SCHEMBL1853024 0.81 P2RY6 (1.00) P2RY6MIFCA1CA2HSD17B10
SCHEMBL9547731 0.81 P2RY6 (0.74) P2RY6MIFCA1CA2HSD17B10
SCHEMBL9547715 0.81 P2RY6 (1.00) P2RY6MIFCA1CA2HSD17B10
SCHEMBL1193625 0.81 P2RY6 (0.74) P2RY6MIFCA1CA2HSD17B10
Bitoscanate SCHEMBL157128 0.80 MIF (0.72) P2RY6MIFCA1CA2HSD17B10
SCHEMBL7203092 0.77 P2RY6 (0.68) P2RY6MIFCA1CA2HSD17B10
SCHEMBL11754558 0.77 P2RY6 (0.68) P2RY6MIFCA1CA2HSD17B10
SCHEMBL16192966 0.77 P2RY6 (0.68) P2RY6MIFCA1CA2HSD17B10
SCHEMBL4235216 0.77 CYP3A4 (0.68) P2RY6TSHRCYP3A4TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
CN-105267967-A Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2016-01-27 CN claimed
CN-104415332-A Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2015-03-18 CN claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
US-20250333696-A1 DNA-CHIMERIC ANTIGEN RECEPTOR T CELLS FOR IMMUNOTHERAPY UNIV ARIZONA STATE (US) 2025-10-30 US disclosed
EP-4572795-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS The University of Chicago (US) 2025-06-25 EP disclosed
US-12338459-B2 DNA-chimeric antigen receptor T cells for immunotherapy ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2025-06-24 US disclosed
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 US disclosed
EP-3446689-B1 ISOTHIOCYANATE COMPOUND FOR USE IN THE TREATMENT OF HYPERBILIRUBINEMIA JC WUXI COMPANY INC (CN) 2025-01-08 EP disclosed
US-20240400684-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-12-05 US 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
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP disclosed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 US disclosed
US-4824659-A LINKED TO POLY(AMIDE,UREA,THIOUREA); BORON CAGE COMPOUNDS; RADIOTHERAPY OF TUMORS IMMUNOMEDICS, INC. (US) 1989-04-25 US disclosed
EP-0205326-A2 Antibody conjugates Immunomedics, Inc. (US) 1986-12-17 EP 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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 P2RY6 2087/4885MIF 986/4885CA1 1745/4885
US-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 P2RY6 2267/4885MIF 3027/4885CA1 1240/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 P2RY6 1923/4885MIF 449/4885CA1 4438/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 P2RY6 4069/4885MIF 4600/4885CA1 3533/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885MIF 4348/4885CA1 3703/4885

“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.