SCHEMBL3619918

SCHEMBL3619918

Cc1nc(-c2ccccc2)ncc1C=CC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 5/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
DGAT1 O75907 1/20 0.43
MAPK1 P28482 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL8181666 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL3174535 0.81 RAB9A (0.46) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL3174543 0.81 RAB9A (0.46) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL3655667 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3655664 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3619915 0.75 DGAT1 (0.51) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL3619866 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL8169627 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL791546 0.74 HPGD (0.65) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL3183545 0.73 NAAA (0.51) ALDH1A1MEN1KMT2AHPGDRAB9A

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 2657/4885MEN1 3249/4885KMT2A 2137/4885

“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.