SCHEMBL3619089

SCHEMBL3619089

O=Cc1cnc(-c2ccc(F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PTGS1 P23219 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ BCL2L1 Q07817 1/20 0.36

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
SCHEMBL1034146 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1PTGS1KMT2AMEN1
SCHEMBL19531542 0.80 CYP2A6 (0.52) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL3538039 0.80 HSD17B10 (0.52) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL3542039 0.79 KIF11 (0.42) ALDH1A1L3MBTL1NPC1LMNARAB9A
SCHEMBL913164 0.79 NPC1 (0.58) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL4425760 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1PTGS1KMT2AMEN1
SCHEMBL28325163 0.76 NPC1 (0.54) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL3608546 0.75 P4HTM (0.49) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL508261 0.75 KCNH2 (0.42) ALDH1A1L3MBTL1KCNH2
SCHEMBL3608544 0.75 P4HTM (0.49) ALDH1A1KMT2AMEN1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 — — US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 — — EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 — — EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 — — WO disclosed
US-4774020-A LIQUID CRYSTAL DISPLAYS CHISSO CORPORATION (JP) 1988-09-27 — — 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 ALDH1A1 2657/4885L3MBTL1 3440/4885PTGS1 12/4885

“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.

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