SCHEMBL3451990

SCHEMBL3451990

COc1ccc(C(=O)C#Cc2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.54
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
HTT P42858 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KCNH2 Q12809 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.46
HSP90AA1 P07900 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
OPRK1 P41145 2/20 0.46
APP P05067 1/20 0.45
POLB P06746 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL3451992 0.87 VCP (0.48) VCPALDH1A1KMT2AMEN1HTT
SCHEMBL8650544 0.82 VCP (0.58) VCPALDH1A1KMT2AMEN1HTT
SCHEMBL9189943 0.78 VCP (0.54) VCPALDH1A1KMT2AMEN1HTT
SCHEMBL9365255 0.76 CYP1A2 (0.67) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL10069798 0.76 APP (0.72) VCPALDH1A1KMT2AMEN1NPC1
SCHEMBL29005866 0.76 TAS1R3 (0.48) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL17244289 0.76 TAS1R3 (0.48) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL1420452 0.76 MAPT (0.43) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL29822736 0.75 NPC1 (0.59) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL28616902 0.75 NPC1 (0.59) ALDH1A1KMT2AMEN1HTTNPC1

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-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS VCP 1375/4885ALDH1A1 3580/4885KMT2A 4623/4885

“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.