SCHEMBL4510952

SCHEMBL4510952

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1nc(-c1ccc(Br)cc1)n2-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.65
TNKS O95271 7/20 0.49
TNKS2 Q9H2K2 7/20 0.49
WNT3A P56704 2/20 0.49
PARP2 Q9UGN5 3/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
PLEC Q15149 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL5611707 0.87 DHFR (0.70) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL1689041 0.86 DHFR (0.60) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL1689321 0.83 DHFR (0.65) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL1688958 0.83 DHFR (0.65) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL5611463 0.82 DHFR (0.64) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL5611631 0.82 DHFR (0.66) DHFRTNKSTNKS2CYP1A1CYP1B1
SCHEMBL1689319 0.82 DHFR (0.62) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL5611867 0.80 DHFR (0.62) DHFRTNKSTNKS2PARP2CYP1A1
SCHEMBL1689008 0.78 DHFR (0.46) DHFRTNKSTNKS2WNT3AALDH1A1
SCHEMBL5611811 0.77 DHFR (0.61) DHFRALDH1A1LMNAMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed

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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DHFR 2867/4885TNKS 932/4885TNKS2 1965/4885

“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.