SCHEMBL9956097

SCHEMBL9956097

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nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACLY P53396 2/20 0.38
ALDH1A1 P00352 2/20 0.35
GGT1 P19440 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
BHMT Q93088 3/20 0.31

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
SCHEMBL9956102 1.00 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL9711635 1.00 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL28348115 0.98 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL15346372 0.98 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL15346371 0.98 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL6974556 0.84 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AKDM4E
Hydrochloric Acid SCHEMBL18298263 0.82 KDM4E (0.52) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL22561574 0.77 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL11224808 0.76 ALDH1A1 (0.47) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL9711562 0.75 TSHR (0.39) KDM4ETSHRALDH1A1MEN1KMT2A

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
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US disclosed
EP-2655375-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-30 EP disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 WO 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-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF DPYD, TYMP, DHPS HMGCR 2215/4885CHRM1 4690/4885TBXA2R 62/4885

“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.