SCHEMBL9949673

SCHEMBL9949673

Brc1ccc2sc3c4cc(Br)ccc4sc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
EPM2A O95278 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 2/20 0.41
HRH4 Q9H3N8 4/20 0.40
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.36
MIF P14174 1/20 0.36
PIM3 Q86V86 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 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
SCHEMBL17037081 0.91 EPM2A (0.38) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL10227293 0.91 EPM2A (0.44) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL17037082 0.89 GPR3 (0.44) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL348846 0.86 GPR3 (0.41) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL17010965 0.86 CYP2A6 (0.40) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL216673 0.84 EPM2A (0.53) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL17037089 0.83 BCL2L1 (0.37) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL12925791 0.80 HRH4 (0.40) CYP2A6HRH4HSP90AA1MIFJAK2
SCHEMBL12811607 0.80 EPM2A (0.50) CYP2A6EPM2APTPN2PTPN1PTPN22
SCHEMBL10227302 0.79 EPM2A (0.43) CYP2A6EPM2APTPN2PTPN1PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 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 (2 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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 CYP2A6 125/4885EPM2A 3421/4885PTPN2 3252/4885
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR SLC43A1, TST, SLC7A5 CYP2A6 1578/4885EPM2A 1942/4885PTPN2 1989/4885

“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.