SCHEMBL4586818

SCHEMBL4586818

Cc1snc(-c2ccc(F)cc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ADORA1 P30542 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 2/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 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
SCHEMBL4585823 0.89 PTGS1 (0.46) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL4586736 0.83 ALDH1A1 (0.45) ADORA1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4586151 0.81 ALDH1A1 (0.53) KMT2AADORA1ALDH1A1MAPTMEN1
SCHEMBL4585890 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4588076 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4587142 0.79 PTGS2 (0.60) ADORA1LMNAPTGS2PTGS1
SCHEMBL4587361 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL4587680 0.77 PTGS2 (0.59) ADORA1LMNAPTGS2PTGS1
SCHEMBL4585882 0.76 ALOX5 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL19053583 0.72 GRM1 (0.44) KMT2AALDH1A1MAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 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
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 KMT2A 1240/4885ADORA1 684/4885ALDH1A1 166/4885

“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.