SCHEMBL16495221

SCHEMBL16495221

CCCCc1ccc(N(C(=O)O)c2ccc3c(c2)CCN3Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 4/20 0.44
TNF P01375 1/20 0.43
S1PR1 P21453 1/20 0.41
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
ALOX5 P09917 4/20 0.40
EPHX2 P34913 2/20 0.40
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ERBB4 Q15303 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL16495220 0.86 MAPT (0.46) MAPTACHETNFALOX5EPHX2
SCHEMBL16495164 0.85 HDAC1 (0.44) MAPTACHETNFALOX5EPHX2
SCHEMBL16495305 0.84 TNF (0.48) MAPTACHETNFALOX5EPHX2
SCHEMBL16495315 0.82 PRMT1 (0.48) MAPTTP53SMN1; SMN2ACHETNF
SCHEMBL16495254 0.81 MEN1 (0.42) MAPTACHETNFALOX5EPHX2
SCHEMBL16495298 0.80 ACHE (0.40) MAPTTP53SMN1; SMN2ACHEPOLB
SCHEMBL16495163 0.78 TNF (0.43) MAPTTP53SMN1; SMN2ACHETNF
SCHEMBL27429810 0.76 TNF (0.45) ACHETNFALOX5EPHX2EGFR
SCHEMBL16495267 0.76 MAPT (0.47) MAPTTNFALOX5EPHX2
SCHEMBL16495182 0.76 ACHE (0.58) MAPTTP53SMN1; SMN2ACHEALOX5

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-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT MAPT 2067/4885TP53 4595/4885SMN1; SMN2 3687/4885

“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.