SCHEMBL5082489

SCHEMBL5082489

N=C(C=Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.65
MMP2 P08253 5/20 0.65
MMP9 P14780 5/20 0.65
ALDH1A1 P00352 5/20 0.50
ALOX12 P18054 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46

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
SCHEMBL3029548 1.00 MMP1 (0.65) MMP1MMP2MMP9ALDH1A1ALOX12
Hydrochloric Acid SCHEMBL4626102 0.98 MMP1 (0.63) MMP1MMP2MMP9ALDH1A1ALOX12
SCHEMBL4626453 0.89 PLA2G1B (0.55) MMP1MMP2MMP9ALDH1A1ALOX12
SCHEMBL4625967 0.89 PLA2G1B (0.55) MMP1MMP2MMP9ALDH1A1POLB
SCHEMBL7040017 0.89 PLA2G1B (0.55) MMP1MMP2MMP9ALDH1A1POLB
SCHEMBL7044898 0.89 PLA2G1B (0.55) MMP1MMP2MMP9ALDH1A1ALOX12
SCHEMBL4624926 0.89 MAPT (0.55) MMP1MMP2MMP9ALDH1A1ALOX12
SCHEMBL4624830 0.89 LMNA (0.59) MMP1MMP2MMP9ALDH1A1ALOX12
SCHEMBL4626674 0.89 MMP1 (0.53) MMP1MMP2MMP9ALDH1A1POLB
SCHEMBL4624960 0.89 MMP1 (0.53) MMP1MMP2MMP9ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903028-A1 Conjugates of glutamate and NMDA receptor channel blockers without excito-toxic effects Tschollar,, Werner (CH) 2008-03-26 EP claimed
EP-1296940-A1 AMIDINE DERIVATIVES AS SELECTIVE ANTAGONISTS OF NMDA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-04-02 EP claimed
WO-2001098262-A1 AMIDINE DERIVATIVES AS SELECTIVE ANTAGONISTS OF NMDA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-12-27 WO claimed
EP-1903028-A1 Conjugates of glutamate and NMDA receptor channel blockers without excito-toxic effects Tschollar,, Werner (CH) 2008-03-26 EP disclosed
US-20060014801-A1 Prevention and treatment of cognitive impairment using (R)-(-)-5-methyl-1-nicotynoyl-2-pyrazoline (MNP) and analogs THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-19 US 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-20060014801-A1 Prevention and treatment of cognitive impairment using (R)-(-)-5-methyl-1-nicotynoyl-2-pyrazoline (MNP) and analogs NNMT, NNT, SIRT5 MMP1 1677/4885MMP2 2507/4885MMP9 1989/4885

“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.