SCHEMBL3620552

SCHEMBL3620552

O=C(/C=C\c1ccc(-c2ccc(F)cc2)nc1)Nc1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.59
MMP2 P08253 5/20 0.59
MMP9 P14780 5/20 0.59
EGFR P00533 3/20 0.59
HDAC1 Q13547 4/20 0.56
MAOB P27338 1/20 0.55
TRPA1 O75762 1/20 0.53
DHODH Q02127 1/20 0.50
HDAC2 Q92769 2/20 0.49
KDM1A O60341 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8177236 1.00 MMP1 (0.59) MMP1MMP2MMP9EGFRHDAC1
SCHEMBL3620554 1.00 MMP1 (0.59) MMP1MMP2MMP9EGFRHDAC1
SCHEMBL3621504 0.86 MMP1 (0.61) MMP1MMP2MMP9EGFRMAOB
SCHEMBL3621501 0.86 MMP1 (0.61) MMP1MMP2MMP9EGFRMAOB
SCHEMBL3606597 0.83 DHODH (0.76) MMP1MMP2MMP9EGFRHDAC1
SCHEMBL3606596 0.83 DHODH (0.76) MMP1MMP2MMP9EGFRHDAC1
SCHEMBL3615601 0.77 SMN1; SMN2 (0.60) DHODHALDH1A1NPC1RAB9AMAPT
SCHEMBL3615604 0.77 SMN1; SMN2 (0.60) DHODHALDH1A1NPC1RAB9AMAPT
SCHEMBL3616078 0.77 LMNA (0.50) EGFRHDAC1MAOBDHODHALDH1A1
SCHEMBL3616077 0.77 LMNA (0.50) EGFRHDAC1MAOBDHODHALDH1A1

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 5 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

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 MMP1 1120/4885MMP2 709/4885MMP9 504/4885

“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.