SCHEMBL4909662

SCHEMBL4909662

[c]1cc2c(s1)-c1ccccc1OC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 7/20 0.47
KDM4E B2RXH2 6/20 0.47
GAA P10253 6/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPK1 P28482 3/20 0.47
NOTUM Q6P988 1/20 0.47
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
GLA P06280 3/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42
HRH1 P35367 3/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2B P41595 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL29799860 0.75 MAOB (0.60) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL132696 0.75 MAOB (0.60) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29395306 0.75 MAOB (0.60) ALDH1A1HPGDKDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL572068 0.73 MAOB (0.58) ALDH1A1HPGDKDM4EGAAHSD17B10
Methane SCHEMBL29238124 0.73 MAOB (0.58) ALDH1A1HPGDKDM4EGAAHSD17B10
Bromide SCHEMBL11255119 0.73 MAOB (0.58) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL987683 0.71 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29412616 0.71 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29375440 0.68 MAPT (0.67) ALDH1A1HPGDKDM4EGAAMAOB
SCHEMBL86392 0.68 MAPT (0.67) ALDH1A1HPGDKDM4EGAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 ALDH1A1 2856/4885HPGD 1587/4885KDM4E 4323/4885

“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.