SCHEMBL3762870

SCHEMBL3762870

COc1cccc(N2C(=O)NC(=O)C(=CCC=Cc3ccccc3[N+](=O)[O-])C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.61
KDM4E B2RXH2 14/20 0.61
ALDH1A1 P00352 13/20 0.61
KMT2A Q03164 12/20 0.58
MEN1 O00255 10/20 0.58
RECQL P46063 6/20 0.58
POLB P06746 5/20 0.58
LMNA P02545 4/20 0.58
THRB P10828 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CACNA1B Q00975 2/20 0.58
APBA1 Q02410 2/20 0.58
CASP6 P55212 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
PLIN1 O60240 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
PABPC1 P11940 1/20 0.53
NPSR1 Q6W5P4 3/20 0.53
BLM P54132 3/20 0.53

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
SCHEMBL3762869 1.00 MAPT (0.61) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3766201 0.87 MAPT (0.71) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL14432335 0.87 MAPT (0.71) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3766205 0.87 MAPT (0.71) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3763335 0.73 MAPT (0.74) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3763333 0.73 MAPT (0.74) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3766211 0.70 GPR55 (0.46) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3766218 0.70 GPR55 (0.46) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL11745227 0.66 CYP19A1 (0.72) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL11745232 0.66 CYP19A1 (0.72) MAPTALDH1A1KMT2AMEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 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 (2 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885KDM4E 2546/4885ALDH1A1 1386/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885KDM4E 2546/4885ALDH1A1 1386/4885

“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.