SCHEMBL13876010

SCHEMBL13876010

CC(C)(C)C(=O)c1ccnc(Oc2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.50
RAB9A P51151 2/20 0.48
GALR3 O60755 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL13876008 0.83 LOXL2 (0.41) LMNAKMT2ASMN1; SMN2
SCHEMBL13875945 0.83 RAB9A (0.61) GRM5RAB9AGALR3MAPK1NPC1
SCHEMBL13890809 0.82 GRM5 (0.50) GRM5RAB9AGALR3MAPK1NPC1
SCHEMBL13876048 0.79 ABL1 (0.43) MAPT
SCHEMBL13875986 0.78 LOXL2 (0.42) L3MBTL1KMT2A
SCHEMBL13876011 0.78 KDM4E (0.42) MAPK1LMNA
SCHEMBL13875991 0.78 HRH3 (0.48) GRM5KMT2A
SCHEMBL13876002 0.78 NR1H2 (0.43)
SCHEMBL13876045 0.76 EPHX2 (0.43) RAB9ANPC1LMNAKMT2ASMN1; SMN2
SCHEMBL13875994 0.75 PARP15 (0.43) RAB9AMAPK1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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 (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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 GRM5 3574/4885RAB9A 2900/4885GALR3 4332/4885

“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.