SCHEMBL632828

SCHEMBL632828

COc1ccc(-c2nc(C)cc(Cl)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
ESR1 P03372 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.46
KDR P35968 1/20 0.45
KMT2A Q03164 2/20 0.45
DYRK1A Q13627 1/20 0.45
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7377873 0.89 ESR1 (0.55) LMNAESR1NPC1RAB9ASMN1; SMN2
SCHEMBL17720570 0.87 KDM4E (0.57) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL3425538 0.82 LMNA (0.72) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9013541 0.79 ABCG2 (0.54) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL9013358 0.79 DYRK1A (0.54) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL9013632 0.79 KDM4E (0.55) ESR1SMN1; SMN2KDM4ETP53ALDH1A1
SCHEMBL9013500 0.79 LMNA (0.68) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1772953 0.78 LMNA (1.00) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9013267 0.77 ABCG2 (0.62) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL338452 0.77 CLK4 (0.64) NPC1RAB9ASMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R LMNA 3570/4885ESR1 1345/4885NPC1 555/4885

“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.