SCHEMBL7419720

SCHEMBL7419720

C=C[CH]C(=O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.40
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TBXAS1 P24557 2/20 0.31
GLA P06280 1/20 0.31
HSPA5 P11021 1/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL262330 0.84
SCHEMBL573387 0.78
SCHEMBL6809037 0.76
SCHEMBL4782317 0.73 NPC1 (0.46) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL7110299 0.73 NPC1 (0.42) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL538187 0.73 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2HTT
SCHEMBL738628 0.73
SCHEMBL1261544 0.72
SCHEMBL1324 0.72 NPC1 (0.62) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL2004766 0.72 NPC1 (0.52) NPC1RAB9AKMT2ABRAFHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US claimed
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF EBETINO FRANK HALLOCK (US) 2021-12-02 US claimed
EP-3813840-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF Ebetino, Frank Hallock (US) 2021-05-05 EP claimed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US claimed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 US claimed
EP-3464307-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF Biovinc, LLC. (US) 2019-04-10 EP claimed
WO-2017210611-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC, LLC. (US) 2017-12-07 WO claimed
US-4558034-A Inhibitors of bacterial collagenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1985-12-10 US claimed
US-20240182504-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2024-06-06 US disclosed
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF EBETINO FRANK HALLOCK (US) 2021-12-02 US disclosed
EP-3820565-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF Biovinc, LLC. (US) 2021-05-19 EP disclosed
EP-3813840-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF Ebetino, Frank Hallock (US) 2021-05-05 EP disclosed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 US disclosed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 US disclosed
EP-3464307-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF Biovinc, LLC. (US) 2019-04-10 EP disclosed
WO-2017210611-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC, LLC. (US) 2017-12-07 WO disclosed
US-5500414-A TREATMENT OF PERIODONTAL DISESASE, INHIBITION OF ZINC METALLOPROTEASES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-03-19 US disclosed
US-5389612-A Treating infections caused by clostridium histolyticum and pseudomonas aeruginosa; enzyme inhibitors COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-02-14 US disclosed
US-4558034-A Inhibitors of bacterial collagenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1985-12-10 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 (5 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-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 NPC1 1539/4885RAB9A 174/4885KMT2A 4250/4885
US-20240182504-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 NPC1 1539/4885RAB9A 174/4885KMT2A 4250/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 NPC1 1539/4885RAB9A 174/4885KMT2A 4250/4885
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF SOST, BPGM, PTMS NPC1 2899/4885RAB9A 825/4885KMT2A 4628/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 NPC1 1539/4885RAB9A 174/4885KMT2A 4250/4885

“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.