SCHEMBL21756734

SCHEMBL21756734

O=C(NCCCc1ccccc1)c1nc[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NLRP1 Q9C000 1/20 0.54
GPR84 Q9NQS5 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL21756737 0.96 NPC1 (0.54) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL7703356 0.91 RAB9A (0.54) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL29328826 0.86 CNR1 (0.48) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL10782201 0.84 ALDH1A1 (0.55) HPGDALDH1A1TSHRL3MBTL1GAA
SCHEMBL21756764 0.83 L3MBTL1 (0.45) NPC1RAB9AHPGDL3MBTL1EPHX2
SCHEMBL19852903 0.77 MAPK8 (0.42) HSD17B10KDM4E
SCHEMBL29328555 0.77 NPC1 (0.52) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL13263618 0.76 NAAA (0.49) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL21756768 0.75 SMN1; SMN2 (0.58) RAB9AMAPTSMN1; SMN2GAACYP1A2
SCHEMBL3225126 0.75 NPC1 (1.00) NPC1RAB9AHPGDALDH1A1TSHR

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 6 patents. 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
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
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
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
WO-2020041556-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-02-27 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-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME BAK1, NAAA, CASP3 NPC1 3040/4885RAB9A 3281/4885HPGD 2807/4885
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 3281/4885HPGD 2807/4885

“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.