SCHEMBL3608546

SCHEMBL3608546

O=C(O)C=Cc1cnc(-c2ccc(F)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.49
RAB9A P51151 2/20 0.48
TNFRSF1A P19438 1/20 0.45
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
KLF5 Q13887 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL3608544 1.00 P4HTM (0.49) P4HTMRAB9ATNFRSF1AAKR1C4AKR1C3
SCHEMBL3654383 0.86 TNFRSF1A (0.44) RAB9ATNFRSF1AHSD11B1KDM4EALDH1A1
SCHEMBL3654382 0.86 TNFRSF1A (0.44) RAB9ATNFRSF1AHSD11B1KDM4EALDH1A1
SCHEMBL3611594 0.81 KDM4E (0.61) P4HTMRAB9ATNFRSF1AAKR1C4AKR1C3
SCHEMBL3611598 0.81 KDM4E (0.61) P4HTMRAB9ATNFRSF1AAKR1C4AKR1C3
SCHEMBL4212976 0.79 HSD11B1 (0.64) TNFRSF1AHSD11B1KDM4EALDH1A1HPGD
SCHEMBL3731921 0.79 HSD11B1 (0.64) TNFRSF1AHSD11B1KDM4EALDH1A1HPGD
SCHEMBL3731922 0.79 HSD11B1 (0.64) TNFRSF1AHSD11B1KDM4EALDH1A1HPGD
SCHEMBL81378 0.77 HSD11B1 (0.72) TNFRSF1AHSD11B1KDM4EALDH1A1HPGD
SCHEMBL3476254 0.77 HSD11B1 (0.72) TNFRSF1AHSD11B1KDM4EALDH1A1HPGD

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 P4HTM 314/4885RAB9A 1874/4885TNFRSF1A 733/4885

“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.