SCHEMBL15928874

SCHEMBL15928874

NC(=S)c1ccc(OC(=O)Oc2ccccc2C(=O)Oc2cccc(CO[N+](=O)[O-])c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 3/20 0.37
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
HGFAC Q04756 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL15928900 0.91 KMT2A (0.42) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928965 0.91 KMT2A (0.38) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928839 0.91 KMT2A (0.38) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928842 0.85 CA12 (0.45) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL20871763 0.84 PTGS2 (0.43) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928983 0.82 HDAC3 (0.39) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928966 0.82 KMT2A (0.41) KMT2AALDH1A1TSHRHSD17B10PTGS2
SCHEMBL15928961 0.82 KMT2A (0.41) KMT2AALDH1A1TSHRHSD17B10PTGS2
Ncx-4016 SCHEMBL29813476 0.80 PTGS2 (0.57) KMT2AALDH1A1TSHRHSD17B10PTGS2
Ncx-4016 SCHEMBL29546681 0.80 PTGS2 (0.57) KMT2AALDH1A1TSHRHSD17B10PTGS2

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-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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 (4 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 KMT2A 3325/4885ALDH1A1 363/4885TSHR 2979/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 KMT2A 2955/4885ALDH1A1 961/4885TSHR 2112/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 KMT2A 2955/4885ALDH1A1 961/4885TSHR 2112/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 KMT2A 3818/4885ALDH1A1 3155/4885TSHR 3827/4885

“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.