SCHEMBL3607620

SCHEMBL3607620

O=C(C=Cc1ccc(Oc2ccccc2)nc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
APP P05067 3/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
OPRM1 P35372 1/20 0.47
GPR183 P32249 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
BCHE P06276 1/20 0.45
LIPE Q05469 1/20 0.45

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
SCHEMBL8164709 1.00 KMT2A (0.52) KMT2AMEN1APPNPC1RAB9A
SCHEMBL8175869 0.88 POLB (0.61) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL8171055 0.88 ALDH1A1 (0.57) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4442058 0.84 HRH3 (0.49) KMT2AMEN1APPNPC1RAB9A
SCHEMBL8171268 0.84 HRH3 (0.49) KMT2AMEN1APPNPC1RAB9A
SCHEMBL3164389 0.82 L3MBTL1 (0.52) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3164383 0.82 L3MBTL1 (0.52) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL13175430 0.81 LMNA (0.48) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL3179345 0.81 SRD5A2 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3179354 0.81 SRD5A2 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 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 KMT2A 2137/4885MEN1 3249/4885APP 3893/4885
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA KMT2A 2762/4885MEN1 4416/4885APP 3537/4885

“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.