SCHEMBL29328826

SCHEMBL29328826

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL29328555 0.92 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21756734 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL29328527 0.85 KMT2A (0.52) SMN1; SMN2KDM4EPOLBALDH1A1CYP3A4
SCHEMBL21756737 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL21756768 0.78 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL10245160 0.78 TSHR (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7703356 0.77 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13263618 0.77 NAAA (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19852903 0.75 MAPK8 (0.42) KDM4E
SCHEMBL10782143 0.74 MAPT (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 CNR1 271/4885NPC1 3040/4885RAB9A 3281/4885

“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.