SCHEMBL3619863

SCHEMBL3619863

Cc1nc(-c2ccccc2)sc1C(=O)C=CN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
MAPT P10636 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
KMT2A Q03164 5/20 0.65
LMNA P02545 5/20 0.65
RAB9A P51151 4/20 0.65
ATM Q13315 1/20 0.65
MEN1 O00255 4/20 0.64
NPC1 O15118 3/20 0.64
CNR1 P21554 1/20 0.55
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 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
SCHEMBL12789540 0.81 CNR1 (0.77) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL1327631 0.75 SMN1; SMN2 (1.00) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL851866 0.73 SMN1; SMN2 (0.78) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL3619866 0.73 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8169627 0.73 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL3405391 0.73 CNR1 (0.65) ALDH1A1SMN1; SMN2LMNACNR1HPGD
SCHEMBL3403003 0.73 CNR1 (0.65) ALDH1A1SMN1; SMN2LMNACNR1HPGD
SCHEMBL892990 0.72 SMN1; SMN2 (0.76) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL4243016 0.72 SMN1; SMN2 (0.76) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL289112 0.72 SMN1; SMN2 (0.93) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA

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 2657/4885MAPT 4745/4885SMN1; SMN2 4638/4885

“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.