SCHEMBL7786256

SCHEMBL7786256

COc1ccc(C(=O)CBr)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
EPHX2 P34913 6/20 0.48
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGDS O60760 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL322894 0.83 ALDH1A1 (0.47) GSK3BEPHX2THRATHRBSMN1; SMN2
SCHEMBL1983309 0.82 AKR1C3 (0.53) EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL28899309 0.82 NPC1 (0.58) EPHX2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29799615 0.81 SMN1; SMN2 (0.61) GSK3BNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL624930 0.81 SMN1; SMN2 (0.61) GSK3BNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL3394380 0.81 ALDH1A1 (0.59) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29879873 0.80 AR (0.50) GSK3BTHRATHRBRAB9AMAPT
SCHEMBL14645459 0.80 AR (0.50) GSK3BTHRATHRBRAB9AMAPT
SCHEMBL7779240 0.80 GSK3B (0.46) GSK3BTHRATHRBNPC1RAB9A
SCHEMBL22979384 0.80 KDM4E (0.51) EPHX2NPC1RAB9A

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 16 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
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
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 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
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (4 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 GSK3B 4564/4885EPHX2 2709/4885THRA 1880/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 GSK3B 4564/4885EPHX2 2709/4885THRA 1880/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 GSK3B 4564/4885EPHX2 2709/4885THRA 1880/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 GSK3B 2874/4885EPHX2 3274/4885THRA 3381/4885

“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.