SCHEMBL3170205

SCHEMBL3170205

O=C(C=CN1CCCCC1)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ESRRG P62508 5/20 0.46
PTPN2 P17706 1/20 0.46
PTPN11 Q06124 1/20 0.46
POLB P06746 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 3/20 0.40
MCHR1 Q99705 1/20 0.39
RIPK1 Q13546 1/20 0.39
HSD17B1 P14061 1/20 0.38

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
SCHEMBL3164312 0.87 IKBKB (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3170020 0.81 ESRRG (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18634960 0.77 RAB9A (0.59) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL3164243 0.75 POLB (0.55) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL27983242 0.71 RAB9A (0.67) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL422509 0.71 RAB9A (0.72) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL3170211 0.71 ALDH1A1 (0.55) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL8175442 0.71 ALDH1A1 (0.55) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL3617572 0.71 ALDH1A1 (0.59) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL3310876 0.71 RAB9A (0.54) RAB9ANPC1MAPTKDM4EMEN1

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 10 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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES 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-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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 (2 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 RAB9A 1874/4885NPC1 4260/4885MAPT 4745/4885
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 RAB9A 3124/4885NPC1 2911/4885MAPT 4836/4885

“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.