SCHEMBL3633384

SCHEMBL3633384

Cc1cc(CCCN)c([N+](=O)[O-])cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 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
SCHEMBL3633360 0.81 MEN1 (0.39) KAT2BALDH1A1CYP1A2RECQLMAPT
SCHEMBL3636229 0.80 KAT2B (0.57) KAT2BCYP3A4TSHR
SCHEMBL27780335 0.79 CYP1A2 (0.42) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL16437872 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL5025090 0.76 MAPT (0.44) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL18138434 0.76 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL3631141 0.75 KAT2B (0.49) KAT2BALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4086162 0.75 ATM (0.53) KAT2BALDH1A1MAPTHTTTDP1
SCHEMBL4233857 0.74 ALDH1A1 (0.48) KAT2BALDH1A1RECQLMAPTPKM
SCHEMBL10759125 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4TSHRRECQL

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 924/4885ALDH1A1 45/4885CYP1A2 24/4885

“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.