SCHEMBL1852379

SCHEMBL1852379

CC(C)(C)c1cc(C(=O)CN2Cc3cc4c(cc3C2=N)OCC(CC=O)CO4)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 2/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 2/20 0.33
NPC1 O15118 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL1857434 0.87 F2R (0.36) F2RMEN1KMT2AKDM4EMAPT
Bromide SCHEMBL1731077 0.85 F2R (0.42) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL1857430 0.84 F2R (0.41) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL1854669 0.84 F2R (0.41) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL12628775 0.82 KDM4E (0.47) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL1731175 0.80 F2R (0.38) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL5488656 0.80 F2R (0.38) F2RKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL12662700 0.80 RARA (0.43) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL12628805 0.79 F2R (0.37) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL12628737 0.79 F2R (0.35) F2RMEN1KMT2AKDM4EMAPT

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 6 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-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
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 F2R 1/4885MEN1 2057/4885KMT2A 3661/4885

“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.