SCHEMBL5457990

SCHEMBL5457990

C=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ FFAR2 O15552 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL28102820 0.87 POLB (0.50) HTTRAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5464823 0.86 HTT (0.47) HTTFFAR2SMN1; SMN2LMNAKMT2A
SCHEMBL5468474 0.83 TBXAS1 (0.44) KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL5471617 0.78 SMN1; SMN2 (0.48) KDM4ERAB9ANPC1PKMSMN1; SMN2
SCHEMBL11523349 0.74 ALDH1A1 (0.56) HTTRAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL5479076 0.73 LMNA (0.45) HTTLMNAKMT2AMEN1POLB
SCHEMBL29089510 0.72 POLB (0.58) HTTRAB9ACYP2C9SMN1; SMN2LMNA
SCHEMBL17294670 0.68 RAB9A (0.61) HTTKDM4ERAB9ANPC1PKM
SCHEMBL17294672 0.68 RAB9A (0.61) HTTKDM4ERAB9ANPC1PKM
SCHEMBL17294682 0.68 RAB9A (0.61) HTTKDM4ERAB9ANPC1PKM

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-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-06-28 — — 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-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors HMGCR, CYP46A1, GRHPR HTT 1966/4885KDM4E 909/4885RAB9A 1964/4885

“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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