SCHEMBL3606596

SCHEMBL3606596

O=C(/C=C/c1ccc(-c2ccc(F)cc2)nc1)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.76
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC1 Q13547 1/20 0.48
EGFR P00533 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
DEGS1 O15121 1/20 0.44
MAPT P10636 1/20 0.44
STAT1 P42224 2/20 0.44
TRPA1 O75762 1/20 0.44
POLB P06746 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL3606597 1.00 DHODH (0.76) DHODHRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3612912 0.86 DHODH (0.75) DHODHRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3612915 0.86 DHODH (0.75) DHODHRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3621504 0.85 MMP1 (0.61) DHODHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3621501 0.85 MMP1 (0.61) DHODHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3620552 0.83 MMP1 (0.59) DHODHRAB9ANPC1ALDH1A1HDAC1
SCHEMBL8177236 0.83 MMP1 (0.59) DHODHRAB9ANPC1ALDH1A1HDAC1
SCHEMBL3620554 0.83 MMP1 (0.59) DHODHRAB9ANPC1ALDH1A1HDAC1
SCHEMBL3615601 0.79 SMN1; SMN2 (0.60) DHODHRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3615604 0.79 SMN1; SMN2 (0.60) DHODHRAB9ANPC1ALDH1A1SMN1; SMN2

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 10 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-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
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
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 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
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

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 DHODH 2851/4885RAB9A 1874/4885NPC1 4260/4885

“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.