SCHEMBL12420717

SCHEMBL12420717

Cc1cc2c(cc1OCc1ccccc1)CC(C(=O)O)N2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
FFAR4 Q5NUL3 1/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MRGPRX4 Q96LA9 4/20 0.42
AGTR2 P50052 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5568388 0.80 GAA (0.55) MAPTGAACREBBPS1PR5
SCHEMBL5568385 0.80 GAA (0.55) MAPTGAACREBBPS1PR5
SCHEMBL12628272 0.76 BRD4 (0.49) MAPTGAABRD4CREBBPAGTR2
SCHEMBL23996207 0.75 GAA (0.56) MAPTGAA
SCHEMBL8964561 0.74 AGTR2 (0.54) AGTR2
SCHEMBL8964158 0.74 AGTR2 (0.54) AGTR2
SCHEMBL25081934 0.72 MAPT (0.64) MAPTFFAR4BRD4MRGPRX4RXRA
Trifluoroacetamide SCHEMBL8213387 0.71 GAA (0.44) MAPTGAACREBBP
SCHEMBL27904690 0.71 MAPT (0.51) MAPTGAA
Hydrochloric Acid SCHEMBL10908879 0.70 MAPT (0.50) MAPTGAA

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-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885GAA 311/4885FFAR4 2711/4885

“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.