SCHEMBL10241117

SCHEMBL10241117

CCn1ccc(NC(C)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAF1 P04049 1/20 0.46
CACNA1I Q9P0X4 3/20 0.45
CACNA1G O43497 2/20 0.44
MAPK8 P45983 2/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK7 P50613 1/20 0.44
TYRO3 Q06418 1/20 0.44
LRRK2 Q5S007 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL31677850 0.83 MAPT (0.50) EPHX2MAPTTSHRHTTHSD17B10
SCHEMBL17267057 0.80 EPHX2 (0.50) EPHX2MAPTTSHRHTTRAB9A
SCHEMBL18593147 0.79 CACNA1I (0.72) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL17267064 0.79 HTT (0.47) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL24335810 0.78 LMNA (0.61) MAPTTSHRHTTRAB9ANPC1
SCHEMBL3439994 0.78 LMNA (0.69) MAPTTSHRHTTRAB9ANPC1
SCHEMBL15134386 0.77 EPHX2 (0.47) EPHX2MAPTTSHRHTTRAB9A
SCHEMBL3440074 0.77 NPC1 (0.67) MAPTTSHRHTTL3MBTL1RAB9A
Hydrochloric Acid SCHEMBL15124096 0.76 EPHX2 (0.46) EPHX2MAPTTSHRHTTRAB9A
SCHEMBL10241140 0.76 CACNA1I (0.51) MAPTTSHRHTTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E EPHX2 2424/4885MAPT 2886/4885TSHR 3152/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 EPHX2 2369/4885MAPT 4538/4885TSHR 4476/4885

“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.