SCHEMBL324388

SCHEMBL324388

Cc1nc2ccccc2n1CCOC=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.52
TNF P01375 1/20 0.51
PDE6D O43924 1/20 0.50
HPGD P15428 1/20 0.49
GALR3 O60755 2/20 0.49
NR2F2 P24468 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
APAF1 O14727 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5009001 0.81 HPGD (0.70) LMNAHTTTP53PKMTNF
SCHEMBL6446137 0.81 LMNA (0.69) LMNAHTTTP53PKMTNF
SCHEMBL5373120 0.79 KDM4E (0.72) LMNAHTTTP53PKMRAB9A
SCHEMBL13587967 0.78 LMNA (0.57) LMNAHTTTP53PKMTNF
SCHEMBL13588039 0.78 LMNA (0.59) LMNAHTTTP53PKMTNF
SCHEMBL19220759 0.78 LMNA (0.59) LMNAHTTTP53PKMTNF
SCHEMBL5374437 0.77 KDM4E (0.68) LMNAHTTTP53PKMRAB9A
SCHEMBL5371056 0.77 SMN1; SMN2 (0.63) LMNAHTTTP53PKMTNF
SCHEMBL9348025 0.77 LMNA (0.58) LMNAHTTTP53PKMTNF
SCHEMBL5377374 0.77 SMN1; SMN2 (0.63) LMNAHTTTP53PKMTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 LMNA 1608/4885HTT 3873/4885TP53 4247/4885

“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.