SCHEMBL2297217

SCHEMBL2297217

CN1CCCN(C(=O)Oc2ccc(N=Nc3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.51
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MGLL Q99685 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ITGB1 P05556 1/20 0.44

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
SCHEMBL2297216 1.00 KMT2A (0.53) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL2293194 0.95 KMT2A (0.51) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL2293191 0.95 KMT2A (0.51) KMT2AMEN1SMN1; SMN2LMNANPSR1
Fumaric Acid SCHEMBL2297225 0.94 HTR1D (0.51) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL5104855 0.82 GAA (0.66) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL14740658 0.81 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL8844997 0.79 NPC1 (0.67) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL3077817 0.77 SMN1; SMN2 (0.72) KMT2AMEN1SMN1; SMN2LMNANPSR1
SCHEMBL23199839 0.75 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL2291959 0.75 CHRNA7 (0.46) KMT2AMEN1SMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US claimed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US claimed
EP-2225212-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-09-08 EP claimed
WO-2009068595-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-04 WO claimed
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US disclosed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US disclosed
EP-2225212-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-09-08 EP disclosed
WO-2009068595-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-04 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-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KMT2A 1050/4885MEN1 3843/4885SMN1; SMN2 2668/4885

“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.