SCHEMBL13302169

SCHEMBL13302169

Cc1ccc2cc(-c3c[nH]c4c(C(=O)O)cccc34)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KEAP1 Q14145 1/20 0.41
▸ CAMKK2 Q96RR4 3/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CTRC Q99895 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL3332983 0.86 GFER (0.42) SMN1; SMN2HTTKEAP1CSNK2A2CSNK2B
SCHEMBL3335325 0.85 KDM4E (0.56) SMN1; SMN2HTTPRKAB2PRKAG1PRKAA2
SCHEMBL11871562 0.74 CSNK2A2 (0.41) SMN1; SMN2HTTKEAP1CSNK2A2CSNK2B
SCHEMBL10629956 0.73 HDAC7 (0.47) SMN1; SMN2CTRCCSNK2A1KDM4EALDH1A1
SCHEMBL12700386 0.73 HTT (0.44) SMN1; SMN2HTTCAMKK2PRKAB2PRKAG1
SCHEMBL13302160 0.72 HTT (0.44) SMN1; SMN2HTTKEAP1ARCSNK2A2
SCHEMBL17179425 0.72 AR (0.59) ARKDM4E
SCHEMBL30771213 0.71 HTT (0.45) SMN1; SMN2HTTKEAP1CAMKK2AR
SCHEMBL2811213 0.71 HTT (0.59) SMN1; SMN2HTTKEAP1CSNK2A2CSNK2B
SCHEMBL29415445 0.71 HTT (0.59) SMN1; SMN2HTTKEAP1CSNK2A2CSNK2B

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-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP SMN1; SMN2 141/4885HTT 5/4885KEAP1 253/4885

“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.

Send feedback