SCHEMBL6041439

SCHEMBL6041439

Cc1ccc2ccc(Br)cc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.41
CYP2A6 P11509 3/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL8474786 0.84 NCEH1 (0.46) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL8370910 0.82 CYP2A6 (0.52) TYMSCYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL30640484 0.82 CYP1A2 (0.54) CYP2A6ALDH1A1CYP1A2TSHRKDM4E
SCHEMBL3267082 0.82 CYP1A2 (0.54) CYP2A6ALDH1A1CYP1A2TSHRKDM4E
SCHEMBL24150000 0.78 KDM4E (0.52) TYMSCYP2A6ALDH1A1KDM4EMEN1
SCHEMBL8345784 0.78 TYMS (0.39) TYMSCYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL3267833 0.78 CYP3A4 (0.43) TYMSCYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL3268719 0.78 TYMS (0.39) TYMSCYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL1569370 0.77 CYP2A6 (0.52) TYMSCYP2A6ALDH1A1CYP1A2KDM4E
SCHEMBL29595200 0.77 CYP2A6 (0.52) TYMSCYP2A6ALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0527175-A4 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0527175-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-17 EP disclosed
WO-1991017149-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 TYMS 2259/4885CYP2A6 3577/4885ALDH1A1 2504/4885

“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.