SCHEMBL17714975

SCHEMBL17714975

CCc1ccc2c(c1)C(=O)N(CC)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
RPS6KA2 Q15349 1/20 0.46
CYP1B1 Q16678 3/20 0.46
TP53 P04637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
USP2 O75604 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 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
SCHEMBL26832358 0.87 POLB (0.56) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL26832356 0.87 POLB (0.56) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL26832339 0.87 POLB (0.56) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL16448929 0.85 ALDH1A1 (0.49) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL8731326 0.85 POLB (0.54) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL10066960 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL10000446 0.82 POLB (0.51) POLBALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL26832351 0.82 POLB (0.51) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL26832331 0.82 POLB (0.51) POLBALDH1A1L3MBTL1LMNARAB9A
SCHEMBL26832343 0.82 POLB (0.51) POLBALDH1A1L3MBTL1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9331353-B2 Proton-conducting composite membrane for fuel cells UNIVERSITE DE ROUEN (FR) 2016-05-03 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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 (2 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 3970/4885ALDH1A1 3735/4885L3MBTL1 3162/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R POLB 4104/4885ALDH1A1 4013/4885L3MBTL1 4229/4885

“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.