SCHEMBL23978397

SCHEMBL23978397

O=[N+]([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MMP13 P45452 2/20 0.56
APP P05067 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2118960 0.77 MMP13 (0.58) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL2118962 0.76 KAT8 (0.59) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL1228438 0.76 KAT8 (0.59) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL3355186 0.75 MAPT (0.70) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL27876738 0.74 ALDH1A1 (0.58) MAPTMEN1KMT2ANPSR1HTT
2-Mercaptobenzothiazole SCHEMBL28269969 0.73 MMP13 (0.66) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL687502 0.73 MAPT (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL687503 0.73 MAPT (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10665075 0.72 MMP13 (0.57) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL686788 0.72 THRB (0.52) MAPTMEN1KMT2ANPSR1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST MAPT 4141/4885MEN1 554/4885KMT2A 3592/4885

“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.