SCHEMBL6644942

SCHEMBL6644942

Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(Cc2nc[nH]n2)C3)c(N2CCC(C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.40
▸ SCN10A Q9Y5Y9 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CD38 P28907 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35

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
SCHEMBL6648162 0.84 PLAU (0.42) PLAUALDH1A1LMNAKDM4ECD38
SCHEMBL6644846 0.82 PRKAA2 (0.48) PLAUSCN10AALDH1A1LMNAKDM4E
SCHEMBL6648871 0.82 SCN10A (0.37) PLAUSCN10AALDH1A1LMNAKDM4E
SCHEMBL6645902 0.78 ESR2 (0.48) SCN10AALDH1A1LMNAKDM4ERXFP1
SCHEMBL6647009 0.78 PLAU (0.44) PLAUALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6646082 0.77 SCN10A (0.46) PLAUSCN10AALDH1A1LMNAKDM4E
SCHEMBL6647429 0.77 NOD1 (0.45) PLAULMNASMN1; SMN2MEN1NPC1
SCHEMBL6647449 0.74 PDE7A (0.47) PLAUSCN10AALDH1A1LMNAKDM4E
SCHEMBL6646611 0.74 SCN10A (0.46) SCN10ALMNASMN1; SMN2TP53MAPT
SCHEMBL6644233 0.74 MAPT (0.55) SCN10AALDH1A1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 — — 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR PLAU 4416/4885SCN10A 1201/4885ALDH1A1 2174/4885

“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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