SCHEMBL10102259

SCHEMBL10102259

Cc1cc2c(cc1O)/C(=N/OCc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 4/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
AKR1C3 P42330 1/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KLF5 Q13887 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL10102248 0.94 MAPT (0.40) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL10102241 0.91 MAPT (0.44) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL661013 0.87 HTT (0.45) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL661012 0.87 HTT (0.45) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL10101788 0.85 MAOA (0.36) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL10102240 0.84 MAPT (0.43) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL660998 0.82 HTT (0.46) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL660997 0.82 HTT (0.46) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL659811 0.81 HTT (0.43) MAPTALDH1A1GAACYP3A4CYP2C9
SCHEMBL659812 0.81 HTT (0.43) MAPTALDH1A1GAACYP3A4CYP2C9

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
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 MAPT 2433/4885ALDH1A1 2237/4885GAA 2110/4885

“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.