SCHEMBL9914916

SCHEMBL9914916

C=C(C)OC(=O)NCc1ccccc1C(O)c1ccc2[nH]ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CTNNB1 P35222 4/20 0.35
WNT3A P56704 4/20 0.35
PTGS2 P35354 1/20 0.35
NOTUM Q6P988 1/20 0.35
NR3C1 P04150 1/20 0.34
ENPP2 Q13822 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CTSK P43235 3/20 0.33
CTSS P25774 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL9913545 0.85 KDM4A (0.40) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL3180280 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL13539191 0.75 KDM4A (0.43) SLC6A2SLC6A4SLC6A3PTGS2NOTUM
SCHEMBL4280275 0.67 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL13539118 0.67 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL14495182 0.66 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL8871162 0.65 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL27811484 0.64 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL12427121 0.64 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3PTGS2EPHX2
SCHEMBL2307317 0.63 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A

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-8198274-B2 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-06-12 US disclosed
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC 2010-01-21 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-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof MAOB, MAOA, TPH1 SLC6A2 8/4885SLC6A4 4/4885SLC6A3 7/4885

“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.