SCHEMBL896838

SCHEMBL896838

Cc1cc(NC(=O)Oc2ccccc2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.62
CDK2 P24941 2/20 0.62
CCNA1 P78396 2/20 0.62
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ATM Q13315 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
AURKA O14965 3/20 0.47
SRC P12931 1/20 0.47
GSK3B P49841 1/20 0.47
CYP1A2 P05177 2/20 0.47
AURKB Q96GD4 2/20 0.45
F2 P00734 1/20 0.45
F12 P00748 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
GFER P55789 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
SCHEMBL6960853 0.78 CSNK2A2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8141305 0.77 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL14257270 0.76 NPC1 (0.51) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL59718 0.76 GRM5 (0.62) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL897128 0.75 ALDH1A1 (0.49) CDK2RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13374845 0.75 FOXO1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10860896 0.75 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL897183 0.75 RAB9A (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3607553 0.74 RAB9A (0.55) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL10101750 0.73 PORCN (0.51) CDK2SMN1; SMN2ATMALDH1A1MAPT

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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CCNA2 4402/4885CDK2 2406/4885CCNA1 3554/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH CCNA2 2003/4885CDK2 839/4885CCNA1 2840/4885

“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.