SCHEMBL2808948

SCHEMBL2808948

CC(NC(=O)O)c1cccc(Oc2ccc(Cl)cc2C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGER2 P43116 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
NOS2 P35228 3/20 0.43
SYK P43405 1/20 0.42
P2RX4 Q99571 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
EYA2 O00167 1/20 0.40
MAPT P10636 1/20 0.40
SCN9A Q15858 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
SCHEMBL13125679 0.87 MEN1 (0.46) PTGER4MEN1KMT2APTGER2MRGPRX4
SCHEMBL6178516 0.81 PTGER4 (0.50) PTGER4MEN1KMT2APTGER2MRGPRX4
SCHEMBL6178518 0.81 PTGER4 (0.50) PTGER4MEN1KMT2APTGER2MRGPRX4
SCHEMBL2805226 0.80 NOS2 (0.47) MRGPRX4NOS2SYKP2RX4CYP2D6
Hydrochloric Acid SCHEMBL2805035 0.79 NOS2 (0.46) MRGPRX4NOS2SYKP2RX4CYP2D6
SCHEMBL3717712 0.79 ALOX5 (0.42) PTGER4MEN1KMT2APTGER2MRGPRX4
SCHEMBL6175825 0.77 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL6177071 0.77 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL6175334 0.77 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL11176242 0.76 MRGPRX4 (0.47) MRGPRX4SYKSLC6A4SMN1; SMN2LMNA

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 PTGER4 127/4885MEN1 2221/4885KMT2A 805/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 PTGER4 12/4885MEN1 3268/4885KMT2A 1266/4885

“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.