SCHEMBL5207400

SCHEMBL5207400

N#CC1(Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5205724 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL5811202 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1MEN1KMT2A
SCHEMBL29976229 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL4634711 0.74 ENPP2 (0.55) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL4716170 0.74 SIGMAR1 (0.71) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL2930608 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL18321618 0.73 NPSR1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL2798597 0.73 ALDH1A1 (0.43) ALDH1A1POLB
SCHEMBL4717096 0.72 SIGMAR1 (0.71) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL13182906 0.70 CHRM2 (0.56) ALDH1A1KDM4ELMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1480972-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068760-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A ALDH1A1 1144/4885KDM4E 1707/4885MAPK1 2444/4885

“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.