SCHEMBL23965797

SCHEMBL23965797

c1ccc(CNc2nc3ccccc3s2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 4/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 3/20 0.50
IDO1 P14902 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL23965805 0.86 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL14394876 0.85 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL31738384 0.84 CYP1A2 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23965796 0.84 NPC1 (0.58) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23965785 0.84 MAOA (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL31738383 0.84 CYP1A2 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1913680 0.78 NPC1 (0.71) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5596285 0.74 KDM4E (0.47) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL1913774 0.74 NPC1 (0.61) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL17963016 0.73 MAPT (0.65) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 US disclosed
CN-102120734-B Method for preparing 2-(N-alkyl)aminobenzothiazole derivatives by using active alcohol as alkylating reagent UNIV NANJING SCIENCE & TECH 2013-08-07 CN disclosed
CN-102120734-A Method for preparing 2-(N-alkyl)aminobenzothiazole derivatives by using active alcohol as alkylating reagent UNIV NANJING SCIENCE & TECH 2011-07-13 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 (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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB NPC1 1739/4885RAB9A 2878/4885KMT2A 2334/4885

“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.