SCHEMBL2487170

SCHEMBL2487170

C#CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TP53 P04637 2/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ LMNA P02545 6/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ HTT P42858 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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 0.79 MAPT (0.60) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL14740407 0.77 MAPT (0.46) MAPTRAB9ALMNAALDH1A1HTT
SCHEMBL14740460 0.75 ALDH1A1 (0.62) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL1997012 0.72 MGAM (0.53) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL2506896 0.72 MMP2 (0.40) MAPTRAB9ALMNAALDH1A1HTT
SCHEMBL11882511 0.69 TDP1 (0.40) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL26135464 0.68 CHEK1 (0.44) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL25028187 0.67 MMP2 (0.46) MAPTRAB9ALMNAALDH1A1HTT
SCHEMBL8042714 0.65 MAPK8 (0.60) MAPTRAB9ATP53LMNAALDH1A1
SCHEMBL16151139 0.65 MMP2 (0.40) MAPTRAB9ALMNAALDH1A1MMP2

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 5 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
WO-2011111077-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 — — 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-20130060045-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI MYCOBACTERIAL ACTIVITY NAT1, CBR3, NOX3 MAPT 4368/4885RAB9A 3925/4885TP53 4732/4885
US-20150073026-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR ANTI-MICROBIAL ACTIVITY CYP51A1, TALDO1, IL33 MAPT 1649/4885RAB9A 3134/4885TP53 2518/4885

“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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