SCHEMBL16660964

SCHEMBL16660964

FC(F)(F)c1nnc(-c2ccc(Br)cn2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL16660830 0.76 TRPV1 (0.47) TRPV1
SCHEMBL17135128 0.75 DGAT1 (0.45) SPRTRPV1
SCHEMBL28887271 0.75 POLB (0.41)
SCHEMBL30617941 0.72 CHRNB2 (0.47) ALDH1A1
SCHEMBL25196015 0.70 SPR (0.39) SPRTRPV1ALDH1A1HSP90AA1HTT
SCHEMBL30442598 0.70 SPR (0.39) SPRTRPV1ALDH1A1HSP90AA1HTT
SCHEMBL17135101 0.69 SPR (0.43) SPRTRPV1ALDH1A1CA2
SCHEMBL40864 0.67 KDM4E (0.46) SPRALDH1A1HTTKMT2AL3MBTL1
SCHEMBL20211553 0.67 TRPV3 (0.37) SPRTRPV1ALDH1A1HTTL3MBTL1
SCHEMBL26633223 0.66 SPR (0.40) SPRALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP 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 (3 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 SPR 3198/4885TRPV1 1867/4885ALDH1A1 887/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 SPR 3198/4885TRPV1 1867/4885ALDH1A1 887/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 SPR 3198/4885TRPV1 1867/4885ALDH1A1 887/4885

“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.