SCHEMBL1856211

SCHEMBL1856211

N#Cc1cc2c(cc1CN1C(=O)c3ccccc3C1=O)OCC=CCO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TGFBR1 P36897 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL1856209 1.00 KMT2A (0.49) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL12628818 0.84 KMT2A (0.46) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL12663223 0.80 HPGD (0.56) KMT2APKMTSHRMAPTALDH1A1
SCHEMBL1854606 0.76 ALDH1A1 (0.45) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL15576956 0.75 KMT2A (0.43) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL12628746 0.75 PKM (0.42) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL12628812 0.75 PKM (0.42) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL15576957 0.75 KMT2A (0.43) KMT2APKMTSHRSMN1; SMN2MAPT
SCHEMBL8736703 0.73 ALDH1A1 (0.54) KMT2APKMSMN1; SMN2MAPTRECQL
SCHEMBL1858279 0.73 RXFP1 (0.54) KMT2ATSHRMAPTRECQLALDH1A1

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-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

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 KMT2A 3661/4885PKM 2704/4885TSHR 614/4885

“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.