SCHEMBL622744

SCHEMBL622744

Nc1ccc2ncc(Br)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
KDM4E B2RXH2 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
ATM Q13315 1/20 0.50
PLAU P00749 1/20 0.44
TLR9 Q9NR96 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL358365 0.84 ALDH1A1 (0.52) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL14910969 0.84 KMT2A (0.54) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL11162210 0.83 EGFR (0.61) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL20528292 0.83 BACE1 (0.47) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL30503636 0.83 EGFR (0.61) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL14756190 0.77 TAAR1 (0.46) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL24207410 0.76 EGFR (0.53) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL22520176 0.76 CYP1A2 (0.57) EGFRKDM4EKMT2AMAPTMEN1
SCHEMBL584342 0.76 BACE1 (0.41) KDM4EKMT2AALDH1A1POLBBACE1
SCHEMBL789944 0.76 PDGFRB (0.39) HSD17B10ADORA3KDRHPGDDYRK1A

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106916194-B Novel ketolide derivative containing amino, preparation method and application 北京理工大学 2020-05-08 CN disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed
CN-100460415-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2009-02-11 CN disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-20020119938-A1 Macrolide antiinfective agents CHU DANIEL (US) 2002-08-29 US disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
US-6395710-B1 CONTROLLING INFECTIONS KOSAN BIOSCIENCES, INC. 2002-05-28 US disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171446-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN 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 (4 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-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 EGFR 2321/4885KDM4E 1780/4885KMT2A 2043/4885
US-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 EGFR 530/4885KDM4E 3573/4885KMT2A 3611/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH EGFR 932/4885KDM4E 3095/4885KMT2A 3261/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH EGFR 932/4885KDM4E 3095/4885KMT2A 3261/4885

“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.