SCHEMBL17652128

SCHEMBL17652128

N#CCc1nc(N)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
CASP1 P29466 1/20 0.46
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.33
PDE8B O95263 1/20 0.30

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
SCHEMBL3672913 0.80 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL11786372 0.75 CASP1 (0.54) NPC1RAB9ASMN1; SMN2HTTCASP1
SCHEMBL28030730 0.74 CASP1 (0.46) NPC1RAB9ASMN1; SMN2HTTCASP1
Cyanamide SCHEMBL8183499 0.70 CASP1 (0.38) NPC1RAB9ASMN1; SMN2CASP1CYP1A2
Water SCHEMBL6686404 0.69 CASP1 (0.47) NPC1RAB9ASMN1; SMN2CASP1CYP1A2
SCHEMBL1032160 0.69 KDM4E (0.36) NPC1RAB9ASMN1; SMN2HTTPOLB
Water SCHEMBL845969 0.69 CASP1 (0.47) NPC1RAB9ASMN1; SMN2CASP1CYP1A2
Water SCHEMBL2230233 0.69 CASP1 (0.47) NPC1RAB9ASMN1; SMN2CASP1CYP1A2
SCHEMBL24108204 0.68 TSHR (0.37) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL28892371 0.68 NPC1 (0.32) NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207448-B Antimicrobial compounds, methods of making the same, and articles comprising the same 医学科技研究公司 2020-12-29 CN disclosed
US-10189798-B2 Antimicrobial compounds, methods of making the same and articles comprising them MEDICAL TECHNOLOGY RESEARCH INC (US) 2019-01-29 US disclosed
US-20180134672-A1 ANTIMICROBIAL COMPOUNDS, METHODS OF MAKING THE SAME AND ARTICLES COMPRISING THEM MEDICAL TECHNOLOGY RESEARCH INC 2018-05-17 US disclosed
EP-3201182-A2 ANTIMICROBIAL COMPOUNDS, METHODS OF MAKING THE SAME AND ARTICLES COMPRISING THEM Medical Technology Research Inc. (US) 2017-08-09 EP disclosed
WO-2016054284-A2 ANTIMICROBIAL COMPOUNDS, METHODS OF MAKING THE SAME AND ARTICLES COMPRISING THEM MEDICAL TECHNOLOGY RESEARCH INC (US) 2016-04-07 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 (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-10189798-B2 Antimicrobial compounds, methods of making the same and articles comprising them GSDMD, TIAL1, AAAS NPC1 1925/4885RAB9A 3868/4885SMN1; SMN2 3807/4885
US-20180134672-A1 ANTIMICROBIAL COMPOUNDS, METHODS OF MAKING THE SAME AND ARTICLES COMPRISING THEM GSDMD, TIAL1, AAAS NPC1 1925/4885RAB9A 3868/4885SMN1; SMN2 3807/4885

“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.