SCHEMBL3978871

SCHEMBL3978871

NN=Cc1ccc([N+](=O)[O-])s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.56
ALDH1A1 P00352 13/20 0.56
KMT2A Q03164 11/20 0.56
LMNA P02545 10/20 0.56
MEN1 O00255 10/20 0.56
POLB P06746 9/20 0.56
KDM4E B2RXH2 7/20 0.56
HSP90AA1 P07900 6/20 0.56
L3MBTL1 Q9Y468 6/20 0.56
RAB9A P51151 5/20 0.56
RECQL P46063 4/20 0.56
SMN1; SMN2 Q16637 13/20 0.54
HTT P42858 11/20 0.54
GAA P10253 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2C9 P11712 2/20 0.52
MITF O75030 8/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4034031 1.00 MAPT (0.56) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4887343 0.81 MAPT (0.57) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11763015 0.81 MAPT (0.57) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4887344 0.81 MAPT (0.57) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1596707 0.77 MAPT (0.71) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1596704 0.77 MAPT (0.71) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL99040 0.76 MAPT (0.50) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL28006431 0.75 MAPT (0.65) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8991871 0.75 MAPT (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL12218135 0.74 MAPT (0.67) MAPTALDH1A1KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828342-B2 Isatin derivatives, pharmaceutical compositions thereof, and methods of use thereof CITY OF HOPE (US) 2017-11-28 US disclosed
US-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 US disclosed
US-20130225637-A1 ISATIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-08-29 US disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 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 (4 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-20130225637-A1 ISATIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF JAK2, ERBB2, CDC25C MAPT 1483/4885ALDH1A1 3829/4885KMT2A 2419/4885
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 MAPT 4297/4885ALDH1A1 866/4885KMT2A 1373/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 MAPT 4297/4885ALDH1A1 866/4885KMT2A 1373/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 MAPT 4297/4885ALDH1A1 866/4885KMT2A 1373/4885

“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.