SCHEMBL14915531

SCHEMBL14915531

[O]c1cc2ccccc2nc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
GLA P06280 3/20 0.54
MAPT P10636 2/20 0.54
ACHE P22303 1/20 0.54
KDM4E B2RXH2 6/20 0.50
GAA P10253 2/20 0.50
STAT3 P40763 1/20 0.50
IKBKB O14920 1/20 0.44
RAB9A P51151 3/20 0.41
MGAM O43451 2/20 0.41
NPC1 O15118 2/20 0.41
NQO2 P16083 1/20 0.41
HTR3A P46098 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL7159163 0.79 ALDH1A1 (0.63) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL209889 0.79 ALDH1A1 (0.63) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL38652592 0.79 ALDH1A1 (0.63) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL31047153 0.77 ALDH1A1 (0.54) ALDH1A1HPGDGLAMAPTACHE
Hydrochloric Acid SCHEMBL5594900 0.77 ALDH1A1 (0.61) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL16990165 0.77 ALDH1A1 (0.61) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL538054 0.77 ALDH1A1 (0.54) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL28643528 0.77 ALDH1A1 (0.54) ALDH1A1HPGDGLAMAPTACHE
Water SCHEMBL14722626 0.77 ALDH1A1 (0.61) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL27797047 0.77 ALDH1A1 (0.61) ALDH1A1HPGDGLAMAPTACHE

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
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN ALDH1A1 1151/4885HPGD 3125/4885GLA 3059/4885

“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.