SCHEMBL6607818

SCHEMBL6607818

O=C(Nc1ccc(Br)cc1)c1cnco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
F2R P25116 1/20 0.58
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.50
MAPT P10636 4/20 0.50
BLM P54132 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL18993388 0.84 F2R (0.51) NPC1RAB9ASMN1; SMN2F2RKMT2A
SCHEMBL22823023 0.84 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2F2RKMT2A
SCHEMBL18027797 0.84 RAB9A (0.51) NPC1RAB9ASMN1; SMN2F2RMAPT
SCHEMBL22823022 0.84 F2R (0.51) NPC1RAB9ASMN1; SMN2F2RKMT2A
SCHEMBL18010053 0.81 F2R (0.49) NPC1RAB9ASMN1; SMN2F2RKMT2A
SCHEMBL6605382 0.81 F2R (0.51) NPC1RAB9AF2RKMT2AMEN1
SCHEMBL15057825 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2F2RKMT2A
SCHEMBL23833708 0.76 KMT2A (0.62) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL30199583 0.76 KMT2A (0.62) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL25060914 0.75

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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 NPC1 1046/4885RAB9A 2863/4885SMN1; SMN2 1918/4885

“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.