SCHEMBL2335563

SCHEMBL2335563

CC(N)c1ccc(C2=NCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDK1 Q15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9837023 0.81 MAPT (0.58) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9835773 0.79 MAPT (0.46) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9863084 0.79 MAPK1 (0.45) MAPTLMNAHTTPOLBALDH1A1
SCHEMBL6351039 0.79 MAPT (0.59) MAPTLMNAHTTMEN1KMT2A
SCHEMBL2335559 0.77 MAPT (0.40) MAPTLMNAHTTMEN1KMT2A
SCHEMBL2335555 0.75 GAA (0.51) MAPTLMNAHTTPOLBALDH1A1
SCHEMBL5611161 0.71 NOTUM (0.44) MAPTLMNAMEN1KMT2APOLB
SCHEMBL17320639 0.70 GPR35 (0.45) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL9003739 0.70 SMN1; SMN2 (0.54) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL5497079 0.70 TDP1 (0.56) MAPTHTTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO 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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 MAPT 4111/4885LMNA 2921/4885HTT 3314/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 MAPT 4111/4885LMNA 2921/4885HTT 3314/4885

“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.