SCHEMBL13033504

SCHEMBL13033504

COCC(=O)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.58
HSD17B10 Q99714 5/20 0.58
CYP1A2 P05177 4/20 0.58
MAPK1 P28482 4/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 9/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 3/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
HBB P68871 1/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.49

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
SCHEMBL13033494 0.90 ALDH1A1 (0.58) USP2HSD17B10CYP1A2MAPK1CYP2C19
SCHEMBL13033545 0.87 MAPT (0.53) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL13033488 0.86 LMNA (0.51) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL13033499 0.85 KDM4E (0.55) USP2HSD17B10CYP1A2MAPK1ALDH1A1
SCHEMBL13033511 0.85 PDE3B (0.54) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL13033510 0.83 ALDH1A1 (0.55) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL13033507 0.83 ALDH1A1 (0.55) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL13033503 0.82 KDM4E (0.50) USP2HSD17B10MAPK1ALDH1A1TSHR
SCHEMBL3509805 0.82 VCP (0.52) HSD17B10ALDH1A1HPGDPOLBKMT2A
SCHEMBL3509908 0.82 BRD4 (0.46) USP2HSD17B10MAPK1ALDH1A1TSHR

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO USP2 1166/4885HSD17B10 3156/4885CYP1A2 4713/4885

“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.