SCHEMBL5936613

SCHEMBL5936613

Cc1nc2ccccc2n(CCOc2ccc(C(=O)O)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.60
HRH1 P35367 1/20 0.59
TP53 P04637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.54
AR P10275 1/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.50
MMP2 P08253 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL5936690 0.88 PDPK1 (0.55) PIN1HRH1TP53KDM4EALDH1A1
SCHEMBL27799043 0.78 KDM4E (0.61) HRH1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL28375287 0.76 PIN1 (0.83) PIN1TP53KDM4EALDH1A1LMNA
SCHEMBL28372577 0.75 PIN1 (1.00) PIN1HRH1TP53LMNASMN1; SMN2
SCHEMBL17898057 0.75 HRH1 (1.00) PIN1HRH1TP53ALDH1A1TSHR
SCHEMBL28375083 0.75 PIN1 (1.00) PIN1TP53LMNASMN1; SMN2MAPT
SCHEMBL1122732 0.75 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL1122737 0.74 PKM (0.60) PIN1TP53KDM4EALDH1A1TSHR
SCHEMBL28375290 0.74 PIN1 (0.83) PIN1TP53KDM4EALDH1A1LMNA
SCHEMBL5369562 0.74 FAAH (0.53) PIN1HRH1TP53ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG PIN1 3142/4885HRH1 554/4885TP53 1778/4885

“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.