SCHEMBL3619915

SCHEMBL3619915

Cc1nc(-c2ccccc2)ncc1C(=O)C=CN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.51
HPGD P15428 3/20 0.45
ALDH1A1 P00352 11/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPK1 P28482 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
USP2 O75604 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ALOX12 P18054 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 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
SCHEMBL403150 0.75 ALDH1A1 (0.63) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL8181666 0.75 ALDH1A1 (0.49) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL3619918 0.75 ALDH1A1 (0.49) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3228101 0.74 ALDH1A1 (0.62) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL16220587 0.74 KMT2A (0.54) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL11812869 0.73 MEN1 (0.52) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL3228095 0.73 KMT2A (0.52) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL3619863 0.72 ALDH1A1 (0.65) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5909286 0.71 GABRA5 (0.47) DGAT1HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL6280287 0.70 ALDH1A1 (0.59) HPGDALDH1A1SMN1; SMN2MAPK1MAPT

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 DGAT1 3790/4885HPGD 92/4885ALDH1A1 2657/4885

“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.