SCHEMBL1773408

SCHEMBL1773408

C=CC(N)c1ccc(O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 11/20 0.48
▸ EP300 Q09472 2/20 0.44
▸ KAT2B Q92831 2/20 0.44
▸ KAT8 Q9H7Z6 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ LDHA P00338 1/20 0.39
▸ CTSB P07858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ APP P05067 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11617666 0.81 CDK2 (0.36) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL11331686 0.81 APP (0.52) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL1772088 0.77 HSP90AA1 (0.53) IDO1APPMAPTTDP1
SCHEMBL89098 0.76 GABRA1 (0.46) CYP1A2MAPTHPGDALOX15TSHR
SCHEMBL1149420 0.73 ALDH1A1 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1
SCHEMBL1683810 0.73 ALDH1A1 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1
SCHEMBL666673 0.73 DPP4 (0.33) TSHR
SCHEMBL11622368 0.71 PTPN22 (0.46) CYP1A2MAPTHSD17B10
SCHEMBL9716921 0.71 IDO1 (0.62) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL9710951 0.70 CASP6 (0.39) LDHAMAPTHPGDHSD17B10

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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 — — US disclosed
WO-2009127669-A2 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (US) 2009-10-22 — — WO 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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF IDO1, IDO2, IDH3B IDO1 1/4885EP300 1517/4885KAT2B 851/4885

“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.

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