SCHEMBL14740435

SCHEMBL14740435

O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])o3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ LMNA P02545 6/20 0.60
▸ HTT P42858 3/20 0.59
▸ TP53 P04637 1/20 0.59
▸ ABL1 P00519 3/20 0.49
▸ SRC P12931 3/20 0.49
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ TERT O14746 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
SCHEMBL14740460 0.87 ALDH1A1 (0.62) MAPTALDH1A1LMNAHTTTP53
SCHEMBL14740407 0.80 MAPT (0.46) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL2487170 0.79 MAPT (0.41) MAPTALDH1A1LMNAHTTTP53
SCHEMBL8779398 0.75 ALDH1A1 (0.72) MAPTALDH1A1LMNAHTTTP53
SCHEMBL8779378 0.71 ABL1 (0.70) MAPTALDH1A1LMNAHTTTP53
SCHEMBL1997012 0.70 MGAM (0.53) MAPTALDH1A1LMNATP53ABL1
SCHEMBL2506896 0.70 MMP2 (0.40) MAPTALDH1A1LMNAHTTABL1
SCHEMBL10363026 0.69 MAPT (0.67) MAPTALDH1A1LMNAHTTTP53
SCHEMBL26135464 0.69 CHEK1 (0.44) MAPTALDH1A1LMNAHTTTP53
SCHEMBL16150859 0.68 LMNA (0.62) MAPTALDH1A1LMNAHTTTP53

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 3 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-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 (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-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 MAPT 4368/4885ALDH1A1 838/4885LMNA 2914/4885

“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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