SCHEMBL4908635

SCHEMBL4908635

CC(C)(C)c1ccc(-c2nc(CCN)co2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
IKBKB O14920 2/20 0.41
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
NOTUM Q6P988 1/20 0.38
S1PR1 P21453 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KLF5 Q13887 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL4905908 0.85 MAOB (0.49) IKBKBLMNANOTUMS1PR1PPARG
SCHEMBL4906065 0.85 IKBKB (0.41) RAB9ANPC1KDM4EGFERIKBKB
SCHEMBL14672185 0.83 HDAC1 (0.44) RAB9ANPC1KDM4ETP53MAPT
SCHEMBL5782311 0.81 NPC1 (0.41) RAB9ANPC1KDM4EGFERIKBKB
SCHEMBL2225521 0.80 NPC1 (0.51) RAB9ANPC1KDM4ETP53LMNA
SCHEMBL2225047 0.80 HDAC1 (0.45) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL2222314 0.80 LMNA (0.50) RAB9ANPC1LMNAHPGDTSHR
SCHEMBL2225947 0.79 DRD2 (0.51) LMNATSHRNOTUMGAA
SCHEMBL14672189 0.79 LMNA (0.34) RAB9ANPC1LMNAMAPTNPSR1
SCHEMBL2228844 0.79 ENPP3 (0.51) RAB9ANPC1KDM4ETP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO 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 (3 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 RAB9A 2581/4885NPC1 50/4885KDM4E 3750/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD RAB9A 2271/4885NPC1 59/4885KDM4E 3834/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD RAB9A 2271/4885NPC1 59/4885KDM4E 3834/4885

“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.