SCHEMBL6938973

SCHEMBL6938973

Cc1ccccc1/C=C/C(=O)N=C(N)NC(=O)/C=C/c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL5430628 0.82 ALDH1A1 (0.48) LMNAHPGDALDH1A1HTTL3MBTL1
SCHEMBL27689932 0.80 HTT (0.62) LMNAHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL5430618 0.80 HTT (0.43) LMNAHPGDALDH1A1HTTL3MBTL1
SCHEMBL5430622 0.80 HTT (0.43) LMNAHPGDALDH1A1HTTL3MBTL1
SCHEMBL30071721 0.80 HTT (0.43) LMNAHPGDALDH1A1HTTL3MBTL1
Guanidine SCHEMBL27709639 0.78 HTT (0.42) LMNAHPGDALDH1A1HTTL3MBTL1
SCHEMBL6938966 0.76 HDAC8 (0.44) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL12425748 0.74 HDAC8 (0.64) MMP1MMP2MMP9EGFRHDAC8
SCHEMBL17151526 0.74 MMP1 (0.46) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL20227835 0.74 ALDH1A1 (0.45) LMNAHPGDALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 — — US disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 — — US disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 — — 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-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 LMNA 239/4885HPGD 603/4885ALDH1A1 522/4885

“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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