SCHEMBL4904181

SCHEMBL4904181

Cc1ccc2oc(CCN)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
MAPT P10636 9/20 0.60
LOXL2 Q9Y4K0 1/20 0.60
GRK6 P43250 1/20 0.53
RAB9A P51151 12/20 0.50
NPC1 O15118 11/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 6/20 0.50
TP53 P04637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.49
MAPK10 P53779 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL11332226 0.90 KDM4E (0.73) KDM4EMAPTGRK6RAB9ANPC1
SCHEMBL26554870 0.87 KDM4E (0.81) KDM4EMAPTLOXL2GRK6RAB9A
SCHEMBL12394367 0.86 RAB9A (0.57) KDM4EMAPTGRK6RAB9ANPC1
SCHEMBL5538663 0.85 KDM4E (0.62) KDM4EMAPTGRK6RAB9ANPC1
SCHEMBL11328720 0.82 KDM4E (0.58) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12330340 0.82 KMT2A (0.70) KDM4EMAPTGRK6RAB9ANPC1
SCHEMBL5542189 0.81 GAA (0.56) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4899456 0.80 MEN1 (0.68) KDM4EMAPTLOXL2GRK6RAB9A
SCHEMBL4905164 0.80 LOXL2 (0.55) KDM4EMAPTLOXL2GRK6RAB9A
SCHEMBL103074 0.80 KDM4E (0.55) KDM4EMAPTGRK6RAB9ANPC1

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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
CN-101287718-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2008-10-15 CN disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (4 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD KDM4E 3750/4885MAPT 1858/4885LOXL2 3046/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD KDM4E 3834/4885MAPT 1786/4885LOXL2 3123/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 KDM4E 1843/4885MAPT 65/4885LOXL2 4378/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD KDM4E 3834/4885MAPT 1786/4885LOXL2 3123/4885

“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.