SCHEMBL970113

SCHEMBL970113

Cc1ccc(S(=O)(=O)Nc2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 2/20 0.44
RAB9A P51151 2/20 0.44
ADAM17 P78536 1/20 0.44
KLF5 Q13887 1/20 0.44
TDP1 Q9NUW8 5/20 0.43
MMP2 P08253 2/20 0.43
PKM P14618 2/20 0.43
MMP9 P14780 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
COMT P21964 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CKS1B P61024 4/20 0.40

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
SCHEMBL966611 0.90 SLC40A1 (0.42) KMT2AMEN1NPC1HSP90AA1RAB9A
SCHEMBL966890 0.88 TP53 (0.39) NPC1RAB9AMMP2MMP9SMN1; SMN2
SCHEMBL967090 0.86 COMT (0.38) NPC1RAB9AMMP2MMP9SMN1; SMN2
SCHEMBL970508 0.84 L3MBTL1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL967602 0.82 TP53 (0.39) NPC1RAB9ASMN1; SMN2MAPTTHRB
SCHEMBL966056 0.81 NPC1 (0.38) KMT2AMEN1NPC1HSP90AA1RAB9A
SCHEMBL967067 0.80 ALOX12 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15197866 0.80 RAB9A (0.44) KMT2ANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL966316 0.80 GBA1 (0.45) ALDH1A1MAPTLMNA
SCHEMBL967882 0.80 PTGS2 (0.44) NPC1RAB9ACOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR KMT2A 1772/4885MEN1 4802/4885NPC1 220/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KMT2A 1772/4885MEN1 4802/4885NPC1 220/4885

“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.