SCHEMBL14740460

SCHEMBL14740460

O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc([N+](=O)[O-])o3)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ LMNA P02545 6/20 0.62
▸ HTT P42858 4/20 0.62
▸ POLB P06746 3/20 0.62
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ABCC8 Q09428 1/20 0.49
▸ KCNJ11 Q14654 1/20 0.49
▸ TERT O14746 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PTK2 Q05397 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 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
SCHEMBL14740435 0.87 MAPT (0.60) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL14740407 0.78 MAPT (0.46) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL2487170 0.75 MAPT (0.41) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL16150859 0.72 LMNA (0.62) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL8860323 0.69 ALDH1A1 (0.61) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL2506896 0.67 MMP2 (0.40) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL1997012 0.67 MGAM (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL3240297 0.66 TSHR (0.65) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL3244533 0.66 TSHR (0.65) ALDH1A1LMNAHTTPOLBMAPT
SCHEMBL13722496 0.66 MEN1 (0.60) ALDH1A1LMNAHTTPOLBMAPT

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 ALDH1A1 838/4885LMNA 2914/4885HTT 4541/4885

“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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