SCHEMBL6402819

SCHEMBL6402819

[c]1[nH]c2ccccc2c1-c1ccccc1SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
S100A4 P26447 1/20 0.34
ELANE P08246 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL9034353 0.71 POLB (0.42) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL6777717 0.69 POLB (0.59) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9254180 0.69 CTSV (0.52) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL5492669 0.68 BCHE (0.40) KDM4ETDP1ALDH1A1CYP1A2HSD17B10
SCHEMBL2588242 0.67 TUBB4A (0.56) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL718222 0.67 ALDH1A1 (0.41) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL30434968 0.67 MEN1 (0.53) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL16322764 0.65 HSD17B10 (0.47) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL5727407 0.65 POLB (0.39) POLBMAPTKMT2AMEN1NPSR1
SCHEMBL5096488 0.65 RHEB (0.51) POLBMAPTKMT2AMEN1NPSR1

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-20050148648-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US claimed

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-20050148648-A1 Modulators of ATP-binding cassette transporters ABCB11, ABCB1, ABCC5 POLB 1098/4885MAPT 2703/4885KMT2A 4175/4885

“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.