SCHEMBL3604538

SCHEMBL3604538

CNC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 4/20 0.54
PKM P14618 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KLF5 Q13887 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGB5 P18084 1/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL3612939 0.90 HDAC6 (0.57) HSD17B10ALDH1A1PKMNPC1RAB9A
SCHEMBL7274899 0.84 ALDH1A1 (0.68) HSD17B10ALDH1A1PKMNPC1RAB9A
SCHEMBL14005192 0.80 MAPT (0.54) HSD17B10ALDH1A1KDM4ESMN1; SMN2THRB
SCHEMBL8509650 0.79 TDP1 (0.55) HSD17B10ALDH1A1PKMTDP1KDM4E
SCHEMBL4931176 0.75 HDAC1 (0.63) KDM4ECYP3A4CYP2D6CYP2C19ITGB3
SCHEMBL4931179 0.75 HDAC1 (0.63) KDM4ECYP3A4CYP2D6CYP2C19ITGB3
SCHEMBL8248807 0.75 ALDH1A1 (0.53) HSD17B10ALDH1A1PKMNPC1RAB9A
SCHEMBL14025799 0.74 ITGB3 (0.53) HSD17B10ALDH1A1PKMNPC1RAB9A
SCHEMBL13766443 0.74 MAPT (0.67) ALDH1A1PKMNPC1RAB9AKLF5
SCHEMBL11353994 0.73 TDP1 (0.68) HSD17B10ALDH1A1PKMNPC1RAB9A

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HSD17B10 322/4885ALDH1A1 370/4885PKM 1293/4885

“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.