SCHEMBL3617010

SCHEMBL3617010

O=C(C=Cc1ccc(-c2ccccc2F)nc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GPR183 P32249 3/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 2/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAOB P27338 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
SCHEMBL3610428 0.81 P4HTM (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3610427 0.81 P4HTM (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3652506 0.80 NPC1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL3652508 0.80 NPC1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HPGD
Hydrochloric Acid SCHEMBL3615277 0.79 CYP11B1 (0.41) NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL3615276 0.79 CYP11B1 (0.41) NPC1RAB9AL3MBTL1
SCHEMBL3832146 0.78 APP (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2APP
SCHEMBL3603831 0.77 CYP11B1 (0.43) NPC1RAB9AL3MBTL1APP
SCHEMBL3603828 0.77 CYP11B1 (0.43) NPC1RAB9AL3MBTL1APP
SCHEMBL8164702 0.76 ALDH1A1 (0.48) ALDH1A1LMNATP53MEN1KMT2A

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 ALDH1A1 2657/4885LMNA 2492/4885TP53 4192/4885

“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.