SCHEMBL4279593

SCHEMBL4279593

O=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
P2RX7 Q99572 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
MLYCD O95822 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15553491 0.78 TRPV4 (0.43) HDAC4MRGPRX4TRPV4P2RX7GPBAR1
SCHEMBL4284245 0.77 HDAC4 (0.44) HDAC4NPSR1RXRARXRBALDH1A1
SCHEMBL2097683 0.76 NPSR1 (0.48) NPSR1ALDH1A1
SCHEMBL60214 0.75 TAS2R14 (0.43) P2RX7NPSR1RXRARXRBALDH1A1
SCHEMBL28036935 0.74 ALDH1A1 (0.40) NPSR1ALDH1A1
SCHEMBL1081803 0.73 NPSR1 (0.41) NPSR1ALDH1A1
SCHEMBL19778 0.73 NPSR1 (0.70) NPSR1TRPM8ALDH1A1
SCHEMBL2094545 0.72 MEN1 (0.49) NPSR1ALDH1A1
SCHEMBL1037769 0.72 OXTR (0.56) NPSR1ALDH1A1
SCHEMBL3759729 0.72 MLYCD (0.42) HDAC4MRGPRX4TRPV4P2RX7MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-12-12 US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 HDAC4 3438/4885MRGPRX4 1281/4885TRPV4 848/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 HDAC4 2659/4885MRGPRX4 2782/4885TRPV4 2038/4885

“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.