SCHEMBL397816

SCHEMBL397816

Nc1ccc2ccsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
CA2 P00918 2/20 0.41
DYRK1A Q13627 1/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HBB P68871 2/20 0.39
HIF1A Q16665 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Hydrochloric Acid SCHEMBL15880793 0.98 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL28457906 0.84 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL760406 0.81 CYP2A6 (0.55) ALDH1A1MAPTRAB9ACA2DYRK1A
Hydrochloric Acid SCHEMBL10370258 0.79 CYP2A6 (0.53) ALDH1A1MAPTRAB9ACA2DYRK1A
Ethoxycarbonyl Group SCHEMBL28477301 0.79 CYP2A6 (0.35) ALDH1A1MAPTSMN1; SMN2HPGDCA2
SCHEMBL13742552 0.75 DYRK1A (0.48) CA2DYRK1ACYP2A6SLC6A2SLC6A4
SCHEMBL164774 0.73 CYP2A6 (0.50) ALDH1A1SMN1; SMN2RAB9ACA2DYRK1A
SCHEMBL12569411 0.73 CYP2A6 (0.52) ALDH1A1MAPTHSD17B10CYP2A6HIF1A
SCHEMBL422225 0.71 CYP2A6 (0.48) MAPTRAB9ACA2CYP2A6TDP1
SCHEMBL18725843 0.71 CYP2A6 (0.36) DYRK1ACYP2A6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269819-B2 Small molecule inhibitors of Galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-08 US disclosed
US-20230165885-A1 TREATMENT OF EYE DISORDERS WITH URIDINE PHOSPHATE DERIVATIVES GLIAGUARD, INC. 2023-06-01 US disclosed
WO-2023068852-A1 BENZOTHIOPHENE-1,1-DIOXIDE DERIVATIVE COMPOUND AS STAT3 INHIBITOR, AND USE THEREOF 주식회사 프롬바이오 2023-04-27 WO disclosed
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 US disclosed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 US disclosed
EP-3953349-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 WO disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
WO-2006115833-A1 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES WITH CARBAMATE, UREA, AMIDE AND SULFONAMIDE SUBSTITUTIONS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
US-6207701-B1 AS ANTI-ANGIOGENIC, ANTI-ARTHRITIC, ANTI-INFLAMMATORY, ANTI-RETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC AGENTS ABBOTT LABORATORIES 2001-03-27 US disclosed
WO-2000063202-A2 BENZO[b] THIOPHENE SULFONAMIDE-1, 1-DIOXIDE DERIVATIVES AND THEIR USE AS ANTINEOPLASTIC AGENTS UNIVERSIDAD PUBLICA DE NAVARRA (ES) 2000-10-26 WO disclosed
US-4695571-A Tricyclic oxindole antiinflammatory agents PFIZER INC. (US) 1987-09-22 US disclosed
WO-1986001510-A1 TRICYCLIC OXINDOLE ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1986-03-13 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 (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-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP ALDH1A1 2839/4885MAPT 3064/4885SMN1; SMN2 4130/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885MAPT 4269/4885SMN1; SMN2 4837/4885
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 ALDH1A1 3232/4885MAPT 2876/4885SMN1; SMN2 4169/4885
US-20230165885-A1 TREATMENT OF EYE DISORDERS WITH URIDINE PHOSPHATE DERIVATIVES P2RY6, P2RY1, P2RY2 ALDH1A1 1347/4885MAPT 627/4885SMN1; SMN2 2615/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885MAPT 4847/4885SMN1; SMN2 4740/4885
US-12269819-B2 Small molecule inhibitors of Galectin-3 LGALS3, LGALS3BP, LGALS1 ALDH1A1 3232/4885MAPT 2876/4885SMN1; SMN2 4169/4885

“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.