SCHEMBL3636229

SCHEMBL3636229

Cc1ccc([N+](=O)[O-])c(CCCN)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.57
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
TAAR1 Q96RJ0 1/20 0.43
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL4658092 0.83 TSHR (0.49) KAT2BTSHRCYP3A4RAB9ANPC1
SCHEMBL6907821 0.83 TSHR (0.60) KAT2BTSHRCYP3A4TAAR1ACHE
SCHEMBL3515439 0.81 ATM (0.56) KAT2B
SCHEMBL4658987 0.80 NPC1 (0.49) TSHRCYP3A4RAB9AMEN1KMT2A
SCHEMBL4657144 0.80 TSHR (0.49) KAT2BTSHRCYP3A4RAB9AACHE
SCHEMBL27780345 0.80 TSHR (0.56) KAT2BTSHRCYP3A4RAB9AMEN1
SCHEMBL4966586 0.80 TSHR (0.56) KAT2BTSHRCYP3A4ACHE
SCHEMBL3633384 0.80 KAT2B (0.43) KAT2BTSHRCYP3A4
SCHEMBL7193090 0.79 TSHR (0.64) KAT2BTSHRCYP3A4RAB9AMEN1
SCHEMBL27599498 0.78 TSHR (0.62) KAT2BTSHRCYP3A4RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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 (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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 KAT2B 924/4885TSHR 4209/4885CYP3A4 5/4885

“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.