SCHEMBL6566353

SCHEMBL6566353

O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
MAPT P10636 1/20 1.00
NPY5R Q15761 4/20 0.65
ALPL P05186 1/20 0.65
ALPI P09923 1/20 0.65
NR1I2 O75469 1/20 0.64
AHR P35869 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
BCHE P06276 1/20 0.63
ACHE P22303 1/20 0.63
EIF2AK2 P19525 1/20 0.63
CSNK2A2 P19784 1/20 0.60
CSNK2A1 P68400 1/20 0.60
ADORA3 P0DMS8 2/20 0.59

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
SCHEMBL1663611 0.92 NPC1 (0.89) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL6562826 0.91 NPC1 (1.00) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL7514363 0.85 NPC1 (0.78) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL6565951 0.82 ALPL (0.76) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL29466507 0.81 MEN1 (0.78) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL1665225 0.80 RAB9A (0.69) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL6585868 0.79 NPY5R (1.00) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL1664228 0.79 RAB9A (0.68) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL4264906 0.78 ALPL (0.78) NPC1RAB9AMAPTNPY5RALPL
SCHEMBL6583864 0.77 NPY5R (0.87) NPC1RAB9AMAPTNPY5RALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 US disclosed
EP-0788358-B1 USE OF PYRAZOLE COMPOUNDS FOR THE TREATMENT OF GLOMERULONEPHRITIS, CANCER, ATHEROSCLEROSIS OR RESTENOSIS MILLENNIUM PHARM INC (US) 2004-03-31 EP disclosed
US-5916908-A Pharmaceutical pyrazole compositions useful as inhibitors of protein kinases COR THERAPEUTICS, INC. (US) 1999-06-29 US disclosed
EP-0788358-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1997-08-13 EP disclosed
WO-1996014843-A2 PHARMACEUTICAL PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES COR THERAPEUTICS, INC. (US) 1996-05-23 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-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS TP53, TP53BP1, KRAS NPC1 4019/4885RAB9A 1488/4885MAPT 4032/4885

“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.