SCHEMBL7629922

SCHEMBL7629922

O=C1Cc2ccccc2C(C(=O)O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ANPEP P15144 2/20 0.41
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
HTR2A P28223 5/20 0.38
HRH1 P35367 3/20 0.38
HTR2C P28335 1/20 0.38
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL30267832 1.00 TSHR (0.53) TSHRNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL19953614 0.85 SMN1; SMN2 (0.49) TSHRNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL9597965 0.79 TSHR (0.49) TSHRNPSR1SMN1; SMN2ALDH1A1GAA
SCHEMBL10331843 0.78 TSHR (0.48) TSHRNPSR1ALDH1A1GAAMAPT
SCHEMBL30267812 0.76 TSHR (0.42) TSHRNPSR1ALDH1A1GAAMAPT
SCHEMBL17528631 0.75 TSHR (0.46) TSHRNPSR1ALDH1A1GAAMAPT
SCHEMBL31350550 0.75 SMN1; SMN2 (0.76) SMN1; SMN2GAAMAPTANPEPAHR
SCHEMBL11439131 0.75 SMN1; SMN2 (0.76) SMN1; SMN2GAAMAPTANPEPAHR
SCHEMBL21035184 0.75 SMN1; SMN2 (0.76) SMN1; SMN2GAAMAPTANPEPAHR
SCHEMBL21035183 0.75 SMN1; SMN2 (0.76) SMN1; SMN2GAAMAPTANPEPAHR

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-20020142998-A1 Bile-acid conjugates for providing sustained systemic concentrations of drugs XENOPORT INC. 2002-10-03 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-20020142998-A1 Bile-acid conjugates for providing sustained systemic concentrations of drugs SLC10A1, SLC10A2, ABCB11 TSHR 2831/4885NPSR1 663/4885SMN1; SMN2 2076/4885

“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.