SCHEMBL4283231

SCHEMBL4283231

O=C(O)N(c1ccccc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ HDAC4 P56524 1/20 0.44
▸ POLQ O75417 3/20 0.42
▸ TACR1 P25103 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ SLC22A11 Q9NSA0 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL29116640 0.82 TACR1 (0.51) POLQTACR1NPSR1L3MBTL1
SCHEMBL2094545 0.81 MEN1 (0.49) TACR1NPSR1LMNAMEN1KMT2A
SCHEMBL17601675 0.80 PTGIR (0.52) HDAC4NPSR1L3MBTL1CYP2C9POLB
SCHEMBL2097683 0.79 NPSR1 (0.48) POLQNPSR1L3MBTL1POLBKMT2A
SCHEMBL14300675 0.77 TACR1 (0.43) POLQTACR1NPSR1L3MBTL1MEN1
SCHEMBL1037096 0.76 PTGIR (0.52) NPSR1POLBMEN1KMT2AKDM4E
SCHEMBL14300714 0.73 PTGIR (0.55) POLQGLAHPGDNPSR1L3MBTL1
SCHEMBL19778 0.72 NPSR1 (0.70) GLAHPGDNPSR1L3MBTL1POLB
SCHEMBL57464 0.72 POLQ (0.40) POLQGLAHPGDNPSR1L3MBTL1
SCHEMBL4279593 0.71 HDAC4 (0.43) HDAC4NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 TAS2R14 1162/4885HDAC4 2659/4885POLQ 4701/4885

“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.

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