SCHEMBL952325

SCHEMBL952325

COC(=O)c1nsc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
RXFP1 Q9HBX9 2/20 0.51
PKM P14618 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12926063 0.82 NPSR1 (0.45) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL12926064 0.82 NPSR1 (0.45) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL18722036 0.81 NPSR1 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL5121155 0.77 HPGD (0.50) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL27042715 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL27064658 0.75 NPSR1 (0.38) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL27042595 0.75 SLC6A3 (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL27042813 0.75 NPSR1 (0.38) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL5119543 0.74 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1
SCHEMBL6112098 0.74 HPGD (0.52) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028335-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2026-01-29 US disclosed
EP-4558497-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
WO-2024017855-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
WO-2024017855-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
EP-2739628-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
WO-2013022818-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
EP-2094658-B1 TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2011-12-21 EP disclosed
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-03-18 US disclosed
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed
EP-2094658-A2 TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-09-02 EP disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 US disclosed
WO-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 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 (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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 ALDH1A1 4457/4885CYP1A2 1559/4885CYP2C19 882/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 ALDH1A1 4479/4885CYP1A2 1285/4885CYP2C19 732/4885
US-20260028335-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS GPR180, GPR27, GPR65 ALDH1A1 873/4885CYP1A2 2964/4885CYP2C19 3106/4885
US-20100069404-A1 TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, MUSK ALDH1A1 3343/4885CYP1A2 460/4885CYP2C19 525/4885
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 ALDH1A1 3907/4885CYP1A2 1956/4885CYP2C19 1279/4885

“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.