SCHEMBL3238347

SCHEMBL3238347

CCOc1ccc([N+](=O)[O-])c(C(C)(Cc2cc(C(=O)O)ccc2Cl)C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PSMD14 O00487 1/20 0.41
BLM P54132 1/20 0.41
MAPT P10636 10/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 4/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3266278 0.84 KDM4E (0.44) KDM4ENPSR1MEN1KMT2ANPC1
SCHEMBL3266275 0.84 KDM4E (0.44) KDM4ENPSR1MEN1KMT2ANPC1
SCHEMBL5802178 0.78 POLB (0.50) NPSR1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL3229033 0.73 NPSR1 (0.46) KDM4ENPSR1MEN1KMT2ANPC1
SCHEMBL3268013 0.70 NPSR1 (0.52) KDM4ENPSR1MEN1KMT2ANPC1
SCHEMBL3268006 0.70 NPSR1 (0.52) KDM4ENPSR1MEN1KMT2ANPC1
SCHEMBL5802482 0.70 POLB (0.45) KDM4EMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL5802842 0.70 TSHR (0.46) KDM4ENPSR1MEN1KMT2ACYP3A4
SCHEMBL5802848 0.70 TSHR (0.46) KDM4ENPSR1MEN1KMT2ACYP3A4
SCHEMBL3266991 0.70 MAPT (0.46) KDM4ENPSR1MEN1KMT2ANPC1

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 KDM4E 4170/4885NPSR1 21/4885MEN1 1684/4885

“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.