SCHEMBL4309730

SCHEMBL4309730

COc1ccc(C#N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
SLC6A2 P23975 2/20 0.60
PGR P06401 1/20 0.60
PDE4A P27815 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
HRH1 P35367 1/20 0.60
SLC6A3 Q01959 1/20 0.60
PDE4D Q08499 1/20 0.60
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3480610 0.88 ALDH1A1 (0.64) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL4326892 0.85 NPC1 (0.54) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL4309752 0.83 SMN1; SMN2 (0.54) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL27846222 0.82 KMT2A (0.60) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL29007028 0.81 MEN1 (0.57) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL11050814 0.79 CES2 (0.54) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL9719343 0.79 MAPT (0.52) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL4316682 0.78 CYP1A2 (0.56) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL699230 0.78 ALDH1A1 (0.71) ALDH1A1HTTLMNAHPGDCYP1A2
SCHEMBL2533157 0.78 ALDH1A1 (0.67) ALDH1A1HTTLMNAHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1954128-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 ALDH1A1 347/4885HTT 4469/4885LMNA 1312/4885

“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.