SCHEMBL12600997

SCHEMBL12600997

Cc1cc(-c2ccccc2)ns1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 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
SCHEMBL12266905 0.82 IDO1 (0.47) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL28510819 0.76 RAB9A (0.46) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL28504247 0.75 NPC1 (0.51) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL28516987 0.75 ENPP3 (0.43) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL28506806 0.75 NPC1 (0.51) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL442535 0.74 MEN1 (0.48) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL5153375 0.74 MEN1 (0.42) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL17723443 0.74 RAB9A (0.45) CYP11B1CYP11B2L3MBTL1RAB9ANPC1
SCHEMBL444555 0.74 ADORA2A (0.48) CYP11B1CYP11B2RAB9ANPC1MEN1
SCHEMBL23081006 0.74 CYP11B1 (0.41) CYP11B1CYP11B2L3MBTL1RAB9ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552257-A 3, 5-disubstituted isothiazole compound and synthesis method and application thereof 五邑大学 2021-03-26 CN claimed
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
CN-112552257-A 3, 5-disubstituted isothiazole compound and synthesis method and application thereof 五邑大学 2021-03-26 CN disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-1675921-B1 INK FOR INKJET, INK SET FOR INKJET, AND INKJET RECORDING METHOD FUJIFILM CORP (JP) 2011-06-29 EP disclosed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN 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 (2 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CYP11B1 229/4885CYP11B2 343/4885L3MBTL1 3415/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 CYP11B1 1150/4885CYP11B2 1452/4885L3MBTL1 999/4885

“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.