SCHEMBL20175459

SCHEMBL20175459

Cc1cccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 2/20 0.62
LMNA P02545 7/20 0.61
MAPT P10636 6/20 0.61
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
KDM4E B2RXH2 3/20 0.61
POLB P06746 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.57
HTT P42858 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL17832065 0.88 TDP1 (0.62) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL17825550 0.88 TDP1 (0.62) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL27178222 0.85 SMN1; SMN2 (0.76) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL27178216 0.85 SMN1; SMN2 (0.76) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL27178082 0.84 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL30826121 0.84 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL27178088 0.84 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL20175458 0.83 KMT2A (0.74) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL30826107 0.80 ESR1 (0.67) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL27177970 0.80 ESR1 (0.67) SMN1; SMN2RAB9ALMNAMAPTKMT2A

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 SMN1; SMN2 4872/4885RAB9A 3225/4885LMNA 3181/4885

“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.