SCHEMBL29328555

SCHEMBL29328555

Cc1ccc(CCNC(=O)c2nc[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 7/20 0.52
TP53 P04637 4/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GBA1 P04062 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL29328826 0.92 CNR1 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL29328527 0.87 KMT2A (0.52) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL21756768 0.86 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7703356 0.85 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL21756734 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL1920570 0.77 POLB (0.42) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL21756737 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10782143 0.76 MAPT (0.54) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL22372109 0.75 KDM4E (0.48) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL1763316 0.75 CCNE2 (0.39) NPC1RAB9ASMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 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-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 NPC1 3040/4885RAB9A 3281/4885SMN1; SMN2 2714/4885

“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.