SCHEMBL23978392

SCHEMBL23978392

O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
RAB9A P51151 1/20 0.72
DNM1 Q05193 2/20 0.70
GCGR P47871 1/20 0.67
MGAM O43451 1/20 0.65
NTRK1 P04629 1/20 0.65
SIRT1 Q96EB6 1/20 0.63
POLB P06746 4/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ECE2 P0DPD6 1/20 0.61
ECE1 P42892 1/20 0.61
MUS81 Q96NY9 1/20 0.61
NOX4 Q9NPH5 1/20 0.60
ALPL P05186 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60

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
SCHEMBL12218568 0.92 DNM1 (0.73) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13569077 0.87 RAB9A (0.94) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL19283304 0.86 DNM1 (0.69) ALDH1A1MEN1KMT2ARAB9ADNM1
SCHEMBL8771684 0.86 RAB9A (0.85) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL19283303 0.86 DNM1 (0.69) ALDH1A1MEN1KMT2ARAB9ADNM1
SCHEMBL12937858 0.85 GCGR (0.87) ALDH1A1MAPTMEN1KMT2AGCGR
SCHEMBL12937826 0.84 ESR1 (0.78) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL12218407 0.83 POLB (0.68) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13568878 0.82 RAB9A (0.97) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13568885 0.82 MAPT (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021225982-A1 SOS1 ALLOSTERIC SITE TARGETING CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-11-11 WO disclosed
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 ALDH1A1 4727/4885MAPT 4141/4885MEN1 554/4885

“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.