SCHEMBL4028112

SCHEMBL4028112

Cc1ccccc1Cc1n[nH]c(SCc2ccco2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
METAP2 P50579 2/20 0.40
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRK1 P41145 1/20 0.39
HSD17B10 Q99714 3/20 0.36
ESR1 P03372 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HTT P42858 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
SCHEMBL4198086 0.85 SMN1; SMN2 (0.42) KMT2AMEN1TSHRSMN1; SMN2METAP2
SCHEMBL5915203 0.85 METAP2 (0.52) KMT2AMEN1NPSR1TSHRSMN1; SMN2
SCHEMBL4211312 0.81 RAB9A (0.47) KMT2ANPSR1SMN1; SMN2METAP2HPGD
SCHEMBL4196920 0.79 NPSR1 (0.41) KMT2AMEN1NPSR1TSHRSMN1; SMN2
SCHEMBL5915133 0.79 SMN1; SMN2 (0.40) KMT2ANPSR1SMN1; SMN2METAP2HPGD
SCHEMBL5915213 0.79 METAP2 (0.42) KMT2AMEN1SMN1; SMN2METAP2HPGD
SCHEMBL5915200 0.79 CYP1A2 (0.41) KMT2AMEN1NPSR1TSHRSMN1; SMN2
SCHEMBL5915132 0.77 PLA2G7 (0.38) KMT2AMEN1SMN1; SMN2METAP2HPGD
SCHEMBL5915178 0.77 KDM4E (0.48) SMN1; SMN2METAP2ALDH1A1POLBL3MBTL1
SCHEMBL5915154 0.77 RAB9A (0.45) NPSR1SMN1; SMN2HPGDPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 KMT2A 672/4885MEN1 2326/4885NPSR1 2421/4885

“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.