SCHEMBL3229033

SCHEMBL3229033

CCOc1ccc([N+](=O)[O-])c(C(CC)(C(=O)OC)c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
MAPT P10636 11/20 0.44
MAPK1 P28482 5/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 5/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 4/20 0.40
PSMD14 O00487 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3267869 0.90 MAPT (0.45) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3267864 0.90 MAPT (0.45) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3266993 0.80 MAPT (0.46) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3266991 0.80 MAPT (0.46) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3266275 0.75 KDM4E (0.44) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3266278 0.75 KDM4E (0.44) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3238347 0.73 KDM4E (0.42) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3270451 0.70 MAPT (0.50) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3270454 0.70 MAPT (0.50) NPSR1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL10628038 0.70 MAPT (0.67) NPSR1SMN1; SMN2RAB9ANPC1MAPT

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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B NPSR1 21/4885SMN1; SMN2 4831/4885RAB9A 1844/4885

“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.