SCHEMBL4624830

SCHEMBL4624830

N=C(/C=C/c1ccccc1)NCc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
MAPT P10636 4/20 0.49
NLRP3 Q96P20 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
EGFR P00533 1/20 0.47
CYP1B1 Q16678 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 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
Hydrochloric Acid SCHEMBL4626443 0.98 LMNA (0.58) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL4624926 0.94 MAPT (0.55) LMNAALDH1A1MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL4625028 0.93 MAPT (0.53) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL5082489 0.89 MMP1 (0.65) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL3029548 0.89 MMP1 (0.65) LMNAALDH1A1MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL4626102 0.87 MMP1 (0.63) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL4625881 0.87 GRIN1 (0.52) LMNAALDH1A1MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL4627022 0.85 GRIN1 (0.51) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL7044898 0.85 PLA2G1B (0.55) LMNAALDH1A1MMP1MMP2MMP9
SCHEMBL4626453 0.85 PLA2G1B (0.55) LMNAALDH1A1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296940-B1 AMIDINE DERIVATIVES AS SELECTIVE ANTAGONISTS OF NMDA RECEPTORS MERCK SHARP & DOHME (GB) 2008-07-02 EP claimed
US-20030119871-A1 Amidine derivatives as selective antagonists of ndma receptors CURTIS NEIL ROY (GB) 2003-06-26 US 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-1296940-B1 AMIDINE DERIVATIVES AS SELECTIVE ANTAGONISTS OF NMDA RECEPTORS MERCK SHARP & DOHME (GB) 2008-07-02 EP disclosed
US-20030119871-A1 Amidine derivatives as selective antagonists of ndma receptors CURTIS NEIL ROY (GB) 2003-06-26 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-20030119871-A1 Amidine derivatives as selective antagonists of ndma receptors GRIN1, GRIN2A, GRM1 LMNA 1855/4885ALDH1A1 4432/4885MMP1 4724/4885

“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.