SCHEMBL2646914

SCHEMBL2646914

O=C(Nc1ccc(Br)cn1)C(CC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GCK P35557 7/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
FFAR2 O15552 1/20 0.38

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
SCHEMBL2662858 1.00 KCNH2 (0.48) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2646610 0.88 KCNH2 (0.55) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2645843 0.88 KCNH2 (0.55) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27482043 0.86 SMN1; SMN2 (0.43) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2658885 0.86 KCNH2 (0.55) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2646096 0.86 KCNH2 (0.55) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2658412 0.85 KCNH2 (0.51) KCNH2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2647313 0.85 KCNH2 (0.51) KCNH2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2646479 0.83 SMN1; SMN2 (0.54) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2646247 0.80 KCNH2 (0.73) KCNH2SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US claimed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KCNH2 100/4885SMN1; SMN2 3088/4885NPC1 822/4885
US-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885SMN1; SMN2 4775/4885NPC1 3972/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885SMN1; SMN2 4775/4885NPC1 3972/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885SMN1; SMN2 4775/4885NPC1 3972/4885

“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.