SCHEMBL232137

SCHEMBL232137

SCc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 1.00
PNMT P11086 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SIGMAR1 Q99720 3/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
AHR P35869 1/20 0.43
TP53 P04637 1/20 0.43
FDPS P14324 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL28221828 0.89 IDO1 (0.79) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL6011638 0.80 IDO1 (0.67) IDO1PNMTTAAR1SIGMAR1IGF1R
Benzoic Acid SCHEMBL10930063 0.80 IDO1 (0.63) IDO1NPC1TSHR
SCHEMBL29086995 0.78 IDO1 (0.64) IDO1PNMTTAAR1AHRTSHR
SCHEMBL25693776 0.78 IDO1 (0.64) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL11086985 0.78 IDO1 (0.64) IDO1PNMTALDH1A1
SCHEMBL3298586 0.78 IDO1 (0.64) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL81462 0.77 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1IGF1R
SCHEMBL29494831 0.76 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1POLB
SCHEMBL17372921 0.76 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60149554-A None JP disclosed
JP-60149555-A None JP disclosed
JP-60155102-A None JP disclosed
JP-60120856-A None JP disclosed
JP-60115560-A None JP disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
CN-113621005-A alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-11-09 CN disclosed
CN-107406478-B alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-07-27 CN disclosed
CN-112608257-A Synthesis method of sulfoxide compound 新疆大学 2021-04-06 CN disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-4268456-A FROM A MERCAPTAN AND PHOSGENE, QUATERNARY AMMONIUM SALT CATALYST PPG INDUSTRIES, INC. (US) 1981-05-19 US disclosed
US-4183924-A 17α-Chloro-17β-hydrocarbonsulfinyl-1,4-androstadienes and the corresponding 17β-hydrocarbonsulfonyl derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1980-01-15 US disclosed
EP-0003863-A1 Novel androstadienes, processes for their preparation and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-09-05 EP disclosed
EP-0002283-A1 Substituted 1,3-dihydrospiro (benzo(c)thiophenes), process for their preparation and these compounds for use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-13 EP disclosed
US-4112207-A Radiation-curable polymers bearing quaternary nitrogen groups THE DOW CHEMICAL COMPANY (US) 1978-09-05 US disclosed
US-4078071-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1978-03-07 US disclosed
US-4055652-A 1-[β(R-thio)phenethyl]imidazoles and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1977-10-25 US disclosed
US-4049665-A 1-OXO-2-PYRIDYL DISULFIDES; FOR USE IN SKIN CLEANSERS, SHAMPOOS, HAIR DRESSINGS, DISINFECTANTS, PRESERVATIVES COLGATE-PALMOLIVE COMPANY (US) 1977-09-20 US disclosed
US-4036975-A FUNGICIDES, BACTERICIDES AND ANTIPROTOZOA AGENTS XYNTEX (U.S.A) INC. (US) 1977-07-19 US disclosed
US-3933947-A INSECTICIDE, MITICIDE, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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 (1 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-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR IDO1 897/4885PNMT 2196/4885TAAR1 4339/4885

“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.