SCHEMBL12628643

SCHEMBL12628643

N#Cc1cc2c(cc1C#N)OC/C=C\CO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
CHEK1 O14757 1/20 0.32
FLT3 P36888 4/20 0.31

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
SCHEMBL1858022 0.81 MEN1 (0.32) ACACBNPSR1KMT2AMEN1MAPT
SCHEMBL1858023 0.81 MEN1 (0.32) ACACBNPSR1KMT2AMEN1MAPT
SCHEMBL9235864 0.80 NPC1 (0.44) KDM4ECASP1CASP7NPC1RAB9A
SCHEMBL1855065 0.76 NPC1 (0.41) KDM4ECASP1CASP7NPC1RAB9A
SCHEMBL31633231 0.74 MAPT (0.45) KDM4ECASP1CASP7NPC1RAB9A
SCHEMBL12628719 0.69 HTT (0.41) KDM4ECASP1CASP7NPC1RAB9A
SCHEMBL18205798 0.67 MAPK1 (0.30) MAPK1
SCHEMBL12628811 0.67 MEN1 (0.31) CASP1NPSR1KMT2AMEN1MAPK1
SCHEMBL14172609 0.67 CYP3A4 (0.42) ACACBKDM4ECASP1CASP7NPC1
SCHEMBL28798289 0.67 MAPKAPK2 (0.49) KDM4ECASP1CASP7NPC1RAB9A

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-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 ACACB 4188/4885KDM4E 4723/4885CASP1 244/4885

“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.