SCHEMBL4580936

SCHEMBL4580936

CCCCOc1ccc(-n2c(C(C)NS(=O)(=O)c3ccc(C(C)(C)C)cc3C)nc3ccccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
KCNH2 Q12809 7/20 0.49
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACKR3 P25106 2/20 0.43
ADRA1A P35348 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR3 P49682 3/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL450629 0.89 ALDH1A1 (0.48) LMNAALDH1A1CYP1A2CYP3A4GAA
SCHEMBL4580933 0.81 HRH3 (0.50) HRH3KCNH2LMNAALDH1A1NPY1R
SCHEMBL448611 0.77 HRH3 (0.50) HRH3KCNH2LMNAALDH1A1NPY1R
SCHEMBL448785 0.72 ALDH1A1 (0.48) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1553362 0.72 KCNH2 (0.44) HRH3KCNH2ALDH1A1SMN1; SMN2CXCR3
SCHEMBL450875 0.72 CXCR3 (0.43) HRH3KCNH2LMNAACKR3MAPT
SCHEMBL6192508 0.71 ALDH1A1 (0.51) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL450976 0.70 CXCR3 (0.53) HRH3KCNH2LMNAMAPTCXCR3
SCHEMBL452091 0.70 HRH3 (0.47) HRH3KCNH2ACKR3MAPTCXCR3
SCHEMBL450628 0.70 ALDH1A1 (0.48) HRH3KCNH2LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 HRH3 886/4885KCNH2 4581/4885LMNA 3754/4885

“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.