SCHEMBL324266

SCHEMBL324266

O=C(OCc1nc2ccccc2s1)N1C=Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.43
ESR1 P03372 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL324577 0.79 RAB9A (0.35) MAPTL3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL323970 0.78 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKMT2AALDH1A1RAB9A
SCHEMBL324887 0.78 CYP3A4 (0.36) SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL324299 0.76 P2RX4 (0.52) CYP2C19L3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL323676 0.76 NPC1 (0.39) MAPTL3MBTL1SMN1; SMN2HPGDLMNA
SCHEMBL15056964 0.74 HDAC3 (0.41) MAPTL3MBTL1SMN1; SMN2TSHRLMNA
SCHEMBL29493251 0.74 HDAC3 (0.41) MAPTL3MBTL1SMN1; SMN2TSHRLMNA
SCHEMBL324344 0.74 L3MBTL1 (0.38) L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL324968 0.74 ALDH1A1 (0.44) MAPTL3MBTL1SMN1; SMN2TSHRKMT2A
SCHEMBL325711 0.74 P2RX4 (0.39) CYP2C19L3MBTL1SMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 159/4885CYP2C19 143/4885MAPT 4762/4885

“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.