SCHEMBL9108726

SCHEMBL9108726

COC(=O)C(CC(C)C)N1C(=O)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
ALDH2 P05091 2/20 0.40
ALDH3A1 P30838 2/20 0.40
TP53 P04637 1/20 0.39
F11 P03951 2/20 0.37
KLKB1 P03952 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL9104273 0.92 NPSR1 (0.43) NPSR1LMNASMN1; SMN2MEN1CYP1A2
SCHEMBL9105740 0.88 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1ALDH2ALDH3A1
SCHEMBL9103541 0.87 ALDH1A1 (0.52) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9108081 0.86 CUL4A (0.47) NPSR1ALDH1A1MAPTALDH2ALDH3A1
SCHEMBL9108176 0.86 TP53 (0.48) ALDH1A1MAPTTP53
SCHEMBL9107681 0.83 MAPT (0.49) NPSR1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL9102207 0.81 F11 (0.40) ALDH1A1ALDH2ALDH3A1F11KLKB1
SCHEMBL9107184 0.81 CHRM5 (0.49)
SCHEMBL9105660 0.79 BCL2 (0.42) SMN1; SMN2ALDH1A1ALDH2ALDH3A1
SCHEMBL281661 0.77 ALDH3A1 (0.48) ALDH1A1ALDH2ALDH3A1

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT NPSR1 1089/4885LMNA 4226/4885SMN1; SMN2 1483/4885

“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.