SCHEMBL4625918

SCHEMBL4625918

COc1cccc(/C=C/C(=N)NCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 2/20 0.54
▸ BCHE P06276 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MMP1 P03956 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ ACHE P22303 2/20 0.51
▸ FOS P01100 1/20 0.50
▸ JUN P05412 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ MEF2D Q14814 1/20 0.48

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 SCHEMBL4626360 0.99 KDM4E (0.54) KDM4EALDH1A1HTTBCHEPOLB
SCHEMBL4626376 0.92 GRIN1 (0.56) KDM4EALDH1A1HTTPOLBPKM
Hydrochloric Acid SCHEMBL4627931 0.91 GRIN1 (0.55) KDM4EALDH1A1HTTPOLBPKM
Hydrochloric Acid SCHEMBL7041561 0.91 GRIN1 (0.55) KDM4EALDH1A1HTTPOLBPKM
SCHEMBL4625281 0.85 LMNA (0.55) ALDH1A1BCHEMAOBMEN1KMT2A
SCHEMBL4626265 0.85 RAB9A (0.56) KDM4EALDH1A1PKMMMP1MMP2
SCHEMBL28891777 0.85 ALDH1A1 (0.73) KDM4EALDH1A1HTTBCHEPKM
Hydrochloric Acid SCHEMBL4627120 0.84 RAB9A (0.58) KDM4EALDH1A1PKMMMP1MMP2
Hydrochloric Acid SCHEMBL4626728 0.84 LMNA (0.54) ALDH1A1BCHEMAOBMEN1KMT2A
SCHEMBL5082489 0.82 MMP1 (0.65) ALDH1A1BCHEPOLBMMP1MMP2

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-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-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 KDM4E 3585/4885ALDH1A1 4432/4885HTT 36/4885

“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.

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