SCHEMBL20175461

SCHEMBL20175461

Cc1cccc(C(=O)N/N=C/c2ccc(O)cc2O)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.64
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
NTRK1 P04629 1/20 0.61
POLB P06746 2/20 0.59
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
EIF4H Q15056 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM1A O60341 2/20 0.58
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL15127234 0.92 PIK3CG (0.61) SIRT1KMT2ARAB9ANPC1POLB
SCHEMBL6570129 0.90 KDM1A (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6570128 0.90 KDM1A (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL28515473 0.89 SIRT1 (0.70) SIRT1KMT2AMEN1RAB9ANPC1
SCHEMBL12746380 0.88 MEN1 (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL684769 0.88 KDM1A (0.66) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL684835 0.87 KDM1A (0.72) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL12746377 0.85 SIRT1 (0.72) SIRT1KMT2AMEN1RAB9ANPC1
SCHEMBL8343578 0.85 SIRT1 (0.85) SIRT1KMT2AMEN1RAB9ANPC1
SCHEMBL8343583 0.85 SIRT1 (0.85) SIRT1KMT2AMEN1RAB9ANPC1

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-20180141897-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-24 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-20180141897-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS LSS, ERG28, CYP51A1 SIRT1 3490/4885KMT2A 3034/4885MEN1 1342/4885

“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.