SCHEMBL14739953

SCHEMBL14739953

Cn1c([N+](=O)[O-])cnc1-c1nnc(SCc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ LMNA P02545 5/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ TYMS P04818 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL2484996 0.79 PTGS1 (0.39) RAB9ACYP2C19LMNAMEN1KMT2A
SCHEMBL14739954 0.74 MEN1 (0.32) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL14740407 0.72 MAPT (0.46) RAB9ACYP1A2CYP2C19LMNAMEN1
Megazol SCHEMBL11696315 0.70 MGAM (0.46) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL11695276 0.69 ALDH1A1 (0.38) RAB9ACYP1A2CYP2C19LMNANPC1
SCHEMBL11696459 0.68 LMNA (0.37) CYP1A2CYP2C19LMNAMAPTALDH1A1
SCHEMBL9353565 0.66 NPC1 (0.61) RAB9ACYP1A2CYP2C19LMNAMEN1
SCHEMBL11725563 0.65 RXFP1 (0.40) RAB9ACYP2C19LMNAKMT2ANPC1
SCHEMBL18556539 0.65 RAB9A (1.00) RAB9ACYP1A2CYP2C19LMNAMEN1
SCHEMBL4206218 0.65 CYP1A2 (0.52) RAB9ACYP1A2CYP2C19LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376402-B2 1, 2, 4-triazole derivatives and their anti-microbial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-28 — — US disclosed
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY COUNCIL SCIENT IND RES (IN) 2015-03-12 — — US disclosed
US-8865910-B2 1, 2, 4-triazole derivatives and their anti mycobacterial activity COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-21 — — US disclosed
US-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-07 — — 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 (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-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 RAB9A 3925/4885CYP1A2 583/4885CYP2C19 790/4885
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 RAB9A 3134/4885CYP1A2 426/4885CYP2C19 519/4885

“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.

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