SCHEMBL4311341

SCHEMBL4311341

O=C1Nc2ccccc2C1=C1OCc2cc(CN3CCCC(O)C3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
AKT1 P31749 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 1/20 0.41
LTA4H P09960 1/20 0.41
PDE2A O00408 1/20 0.39
PDGFRB P09619 3/20 0.39
KDR P35968 3/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 4/20 0.37
NTRK1 P04629 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL4311337 1.00 HTT (0.55) HTTPRMT5WDR77AKT1ALDH1A1
SCHEMBL4304968 0.91 KCNJ1 (0.44) HTTPRMT5WDR77AKT1
SCHEMBL4304972 0.91 KCNJ1 (0.44) HTTPRMT5WDR77AKT1
SCHEMBL4308577 0.90 PRMT5 (0.46) HTTPRMT5WDR77AKT1LTA4H
SCHEMBL4308573 0.90 PRMT5 (0.46) HTTPRMT5WDR77AKT1LTA4H
SCHEMBL4305203 0.89 PRMT5 (0.45) HTTPRMT5WDR77AKT1PARP1
SCHEMBL4305206 0.89 PRMT5 (0.45) HTTPRMT5WDR77AKT1PARP1
SCHEMBL4304644 0.89 PRMT5 (0.42) HTTPRMT5WDR77PARP1LTA4H
SCHEMBL4304647 0.89 PRMT5 (0.42) HTTPRMT5WDR77PARP1LTA4H
SCHEMBL4310226 0.89 HTT (0.46) HTTPRMT5WDR77AKT1ALDH1A1

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-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 HTT 4564/4885PRMT5 2177/4885WDR77 1830/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HTT 4564/4885PRMT5 2177/4885WDR77 1830/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 HTT 3286/4885PRMT5 1269/4885WDR77 3462/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 HTT 4564/4885PRMT5 2177/4885WDR77 1830/4885

“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.