SCHEMBL3615604

SCHEMBL3615604

O=C(C=Cc1ccc(-c2ccc(F)cc2)nc1)Nc1nccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.60
RAB9A P51151 11/20 0.60
NPC1 O15118 10/20 0.60
GAA P10253 5/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
KDM4E B2RXH2 6/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 2/20 0.58
ALDH1A1 P00352 8/20 0.52
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 3/20 0.47
MGAM O43451 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
SCHEMBL3615601 1.00 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1GAANFKB1
SCHEMBL3617092 0.86 RAB9A (0.63) SMN1; SMN2RAB9ANPC1GAANFKB1
SCHEMBL3617090 0.86 RAB9A (0.63) SMN1; SMN2RAB9ANPC1GAANFKB1
SCHEMBL3621504 0.79 MMP1 (0.61) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL3621501 0.79 MMP1 (0.61) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL3606596 0.79 DHODH (0.76) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL3606597 0.79 DHODH (0.76) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8177236 0.77 MMP1 (0.59) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL3620554 0.77 MMP1 (0.59) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL3620552 0.77 MMP1 (0.59) RAB9ANPC1GAAALDH1A1MAPT

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 SMN1; SMN2 4638/4885RAB9A 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.