SCHEMBL3500247

SCHEMBL3500247

CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 7/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NR4A2 P43354 2/20 0.51
ALDH1A3 P47895 2/20 0.51
SLC2A1 P11166 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 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
SCHEMBL12970538 0.93 RAB9A (0.59) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL2127861 0.86 ALDH1A1 (0.72) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL10468516 0.86 NPC1 (0.61) NPC1RAB9AALDH1A1KDM4EGLA
Bromide SCHEMBL1691775 0.85 ALDH1A1 (0.70) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL12970525 0.83 APP (0.54) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL5341342 0.81 ALPL (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5338834 0.81 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3498284 0.80 ALDH1A1 (0.67) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL12970091 0.80 KDM4E (0.60) NPC1RAB9AALDH1A1KDM4EGLA
Methylethylamine SCHEMBL5334196 0.80 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KDM4EGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 NPC1 1622/4885RAB9A 2269/4885ALDH1A1 3047/4885

“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.