SCHEMBL3148153

SCHEMBL3148153

COc1c(Cl)ccc(NC(=O)C(C)(C)C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PDK1 Q15118 5/20 0.39
PDK2 Q15119 5/20 0.39
PDK3 Q15120 5/20 0.39
PDK4 Q16654 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX12 P18054 1/20 0.37
CCR9 P51686 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL13525154 0.87 LMNA (0.38) LMNAMAPTHTTTAS1R3TAS1R1
SCHEMBL13524441 0.84 KDM4E (0.40) LMNAMAPTHTTTAS1R3TAS1R1
SCHEMBL3840786 0.80 TAS1R3 (0.42) LMNAMAPTHTTTAS1R3TAS1R1
SCHEMBL13524593 0.80 ALDH1A1 (0.42) LMNAMAPTHTTTAS1R3TAS1R1
SCHEMBL4171512 0.74 LMNA (0.55) LMNAMAPTHTTKMT2AKDM4E
SCHEMBL30831887 0.73 ALDH1A1 (0.48) MAPTTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL465567 0.73 ALDH1A1 (0.48) MAPTTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL7125030 0.72 L3MBTL1 (0.41) LMNAMAPTHTTMEN1RAB9A
SCHEMBL16377909 0.72 KDM4E (0.39) LMNAMAPTRAB9AKDM4EALDH1A1
SCHEMBL31596297 0.72 PDK1 (0.39) TAS1R3TAS1R1TAS1R2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2094686-A1 5-{2-[4-(2-METHYL-5-QUINOLINYL)-L-PIPERIDINYL]ETHYL} QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIREMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. Glaxo Group Limited (GB) 2009-09-02 EP disclosed
WO-2008037681-A1 5-{2-[4-(2-METHYL-5-QUINOLINYL)-L-PIPERIDINYL] ETHYL} QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIREMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2008-04-03 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-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. HTR1A, HTR1D, HTR1E LMNA 2593/4885MAPT 2644/4885HTT 526/4885

“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.