SCHEMBL4626376

SCHEMBL4626376

COc1cccc(CNC(=N)/C=C/c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC4 P56524 1/20 0.51
▸ MEF2D Q14814 1/20 0.51
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 1/20 0.49

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 SCHEMBL4627931 0.99 GRIN1 (0.55) GRIN1GRIN2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7041561 0.99 GRIN1 (0.55) GRIN1GRIN2BHDAC3HDAC1HDAC2
SCHEMBL4625918 0.92 KDM4E (0.55) GRIN1GRIN2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4626360 0.91 KDM4E (0.54) GRIN1GRIN2BHDAC3HDAC1HDAC2
SCHEMBL4626265 0.85 RAB9A (0.56) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4625281 0.85 LMNA (0.55) HDAC3HDAC1HDAC2HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL4626728 0.84 LMNA (0.54) HDAC3HDAC1HDAC2HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL4627120 0.84 RAB9A (0.58) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4625875 0.84 MMP1 (0.50) HDAC4MEF2DALDH1A1MMP13MMP1
Hydrochloric Acid SCHEMBL4626151 0.83 MMP1 (0.49) HDAC4MEF2DALDH1A1MMP13MMP1

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 GRIN1 1/4885GRIN2B 6/4885HDAC3 432/4885

“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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