SCHEMBL4372944

SCHEMBL4372944

COc1ccnc(C(F)(F)F)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IKBKB O14920 1/20 0.43
MAPK10 P53779 2/20 0.40
SCN10A Q9Y5Y9 7/20 0.38
HCRTR1 O43613 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RIPK2 O43353 1/20 0.36
HCRTR2 O43614 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
SCHEMBL31214434 0.84 HTT (0.42) HTTHSD17B10KDM4EL3MBTL1SCN10A
SCHEMBL4558527 0.80 HSD17B10 (0.51) HTTHSD17B10KDM4EL3MBTL1MAPK10
SCHEMBL31726010 0.79 KDM4E (0.46) HTTKDM4EPOLBCTDSP1TDP1
SCHEMBL31208519 0.79 KDM4E (0.46) HTTKDM4EPOLBCTDSP1TDP1
SCHEMBL7020144 0.77 KDM4E (0.47) HSD17B10KDM4EPOLBCTDSP1TDP1
SCHEMBL17490709 0.77 IKBKB (0.50) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL7040741 0.77 IKBKB (0.50) HTTKDM4EPOLBCTDSP1TDP1
SCHEMBL28207028 0.76 HTT (0.47) HTTHSD17B10KDM4EL3MBTL1HCRTR1
SCHEMBL21598604 0.76 HTT (0.49) HTTHSD17B10L3MBTL1MAPK10NPSR1
SCHEMBL4381004 0.73 SMN1; SMN2 (0.41) HTTHSD17B10KDM4ENPSR1RIPK2

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-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 HTT 282/4885HSD17B10 639/4885KDM4E 2863/4885

“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.