SCHEMBL21756732

SCHEMBL21756732

O=C(NCCc1c[nH]c2ccccc12)c1nc[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
SIRT1 Q96EB6 5/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
POLB P06746 2/20 0.61
CDK4 P11802 1/20 0.61
CCND1 P24385 1/20 0.61
MMP9 P14780 1/20 0.60
AANAT Q16613 1/20 0.60
FAAH O00519 1/20 0.59
TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL31013606 1.00 MEN1 (0.67) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL4331421 0.80 MEN1 (1.00) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL28358519 0.80 SMN1; SMN2 (0.77) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL29650351 0.80 SMN1; SMN2 (0.77) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL627038 0.80 MEN1 (0.74) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL6394942 0.78 MEN1 (0.76) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL15145387 0.78 SIRT1 (0.76) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL1518358 0.78 MEN1 (0.71) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL9276493 0.78 MEN1 (1.00) MEN1KMT2ASIRT1NPC1RAB9A
SCHEMBL20927525 0.78 MEN1 (0.74) MEN1KMT2ASIRT1NPC1RAB9A

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 MEN1 3439/4885KMT2A 299/4885SIRT1 438/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 MEN1 3439/4885KMT2A 299/4885SIRT1 438/4885

“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.