Sugi Predict

Sugi Predict / Compounds / SCHEMBL2492043

SCHEMBL2492043

SCHEMBL2492043

CCOC(=O)c1cn(Cc2ccc(Br)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ STAT3 P40763 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GNRHR P30968 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL2490472 0.86 CHRM1 (0.52) LMNAHTTCHRM1STAT3KMT2A
SCHEMBL2486523 0.85 CHRM1 (0.58) HTTCHRM1KMT2AALDH1A1CYP1A2
SCHEMBL14747226 0.82 CHRM1 (0.50) LMNAHTTCHRM1STAT3KMT2A
SCHEMBL1482397 0.82 CHRM1 (0.45) LMNAHTTCHRM1STAT3KMT2A
SCHEMBL6691224 0.81 TDP1 (0.55) LMNAHTTCHRM1STAT3KMT2A
SCHEMBL3234568 0.80 CHRM1 (0.51) LMNAHTTCHRM1STAT3KMT2A
SCHEMBL3237295 0.79 CHRM1 (0.47) HTTCHRM1STAT3KDM4EALDH1A1
SCHEMBL1931751 0.78 CHRM1 (0.60) HTTCHRM1STAT3KMT2AKDM4E
SCHEMBL16378027 0.78 CHRM1 (0.76) HTTCHRM1STAT3KDM4EALDH1A1
SCHEMBL3234254 0.77 CHRM1 (0.59) HTTCHRM1KDM4EALDH1A1GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 — — US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 — — US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 — — US disclosed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 — — EP disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 — — US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 — — US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 — — US disclosed
WO-2008002621-A2 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2008-01-03 — — 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-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators CHRM1, OPRL1, MTNR1A LMNA 3254/4885HTT 639/4885CHRM1 1/4885

“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.