SCHEMBL2513239

SCHEMBL2513239

CCOc1ccc2nc(CC)c(C(=O)O)c(N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
BLM P54132 2/20 0.54
TSHR P16473 2/20 0.54
TERT O14746 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 2/20 0.54
CASP7 P55210 2/20 0.54
MAPT P10636 1/20 0.54
CASP1 P29466 1/20 0.54
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44

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
SCHEMBL2510965 0.90 ALDH1A1 (0.44) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL2511107 0.88 KDM4E (0.49) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL2511086 0.86 KMT2A (0.45) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL19901694 0.86 KDM4E (0.59) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL2514137 0.85 FABP3 (0.48) FABP3FABP4FABP5
SCHEMBL621336 0.76 HSD17B10 (0.56) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL439500 0.76 ALDH1A1 (0.60) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL11873079 0.75 KDM4E (0.61) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL2515202 0.74 DHODH (0.45) HSD17B10MEN1KMT2AALDH1A1FABP3
SCHEMBL28572152 0.72 KMT2A (0.74) HSD17B10KDM4EMEN1KMT2AALDH1A1

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-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B10 1094/4885KDM4E 1475/4885MEN1 784/4885

“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.