SCHEMBL3500221

SCHEMBL3500221

Cc1nc(Cl)sc1C(=O)Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
KMT2A Q03164 7/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
AHR P35869 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL8480288 0.83 ALDH1A1 (0.70) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL2514326 0.83 ALDH1A1 (1.00) ALDH1A1HPGDTSHRKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL8761196 0.81 ALDH1A1 (0.96) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL3344131 0.80 CNR1 (0.47) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL2267607 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL1900249 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL19981322 0.78 HPGD (0.63) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL29198580 0.78 ALDH1A1 (0.63) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL19067683 0.78 ALDH1A1 (0.63) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL9501591 0.77 ALDH1A1 (0.47) ALDH1A1HPGDTSHRKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 CN disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP disclosed
US-4837242-A Thiazoles and pyrazoles as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed
EP-0276177-A1 Heterocyclic derivatives, method for their preparation and fungicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-27 EP disclosed
EP-0126265-B1 REACTIVE DYES BASF Aktiengesellschaft (DE) 1986-10-29 EP disclosed
EP-0126265-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1984-11-28 EP disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed
US-4354968-A Azo reactive dyestuffs having an aryl-triazinyl-aryl diazo component BAYER AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 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 (3 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-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885HPGD 807/4885TSHR 3239/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885HPGD 649/4885TSHR 3388/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ALDH1A1 1815/4885HPGD 807/4885TSHR 3239/4885

“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.