SCHEMBL14740407

SCHEMBL14740407

O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])s2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTPN1 P18031 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TERT O14746 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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 0.80 MAPT (0.60) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL14740460 0.78 ALDH1A1 (0.62) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL2487170 0.77 MAPT (0.41) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL14739953 0.72 RAB9A (0.48) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL9353565 0.69 NPC1 (0.61) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL1997012 0.69 MGAM (0.53) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL2506896 0.69 MMP2 (0.40) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL11882511 0.66 TDP1 (0.40) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL26135464 0.65 CHEK1 (0.44) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL16151139 0.64 MMP2 (0.40) MAPTLMNARAB9ANPC1SMN1; SMN2

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 4368/4885LMNA 2914/4885RAB9A 3925/4885

“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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