SCHEMBL10028895

SCHEMBL10028895

CC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.82
ALDH1A1 P00352 5/20 0.82
LMNA P02545 4/20 0.82
HPGD P15428 4/20 0.82
HSD17B10 Q99714 4/20 0.82
CYP1A2 P05177 1/20 0.82
TOP2A P11388 1/20 0.82
CYP2C9 P11712 1/20 0.82
TOP2B Q02880 1/20 0.82
MAPT P10636 1/20 0.63
TP53 P04637 1/20 0.60
CASP3 P42574 1/20 0.60
CASP9 P55211 1/20 0.60
BAX Q07812 1/20 0.60
BRD4 O60885 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
CYP2J2 P51589 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PIK3CG P48736 4/20 0.52

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
Ciprofloxacin SCHEMBL10392202 0.92 KDM4E (0.94) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8983611 0.91 KDM4E (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL22163788 0.91 KDM4E (0.92) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL28201587 0.91 KDM4E (0.96) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL29137332 0.90 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2900 0.90 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL345730 0.90 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2325956 0.90 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL4459712 0.90 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL3134064 0.89 KDM4E (0.98) KDM4EALDH1A1LMNAHPGDHSD17B10

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-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 US disclosed
US-20170204118-A1 METAL ORGANIC FRAMEWORK WITH PERFLUORINATED LINKER YOUNGSTOWN STATE UNIVERSITY (US) 2017-07-20 US disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2017-05-11 US disclosed
US-9439888-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2016-07-28 US disclosed
US-8962786-B2 Chain extenders POLYNOVO BIOMATERIALS PTY LTD (AU) 2015-02-24 US disclosed
US-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-02-23 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 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 (7 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-20170204118-A1 METAL ORGANIC FRAMEWORK WITH PERFLUORINATED LINKER AFF2, HNRNPF, SLC30A7 KDM4E 4269/4885ALDH1A1 1417/4885LMNA 4264/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS KDM4E 3645/4885ALDH1A1 4175/4885LMNA 3228/4885
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 KDM4E 4668/4885ALDH1A1 515/4885LMNA 2953/4885
US-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 KDM4E 3599/4885ALDH1A1 481/4885LMNA 270/4885
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 KDM4E 4668/4885ALDH1A1 515/4885LMNA 2953/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 KDM4E 4668/4885ALDH1A1 515/4885LMNA 2953/4885
US-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF CTSB, SOST, CTSG KDM4E 1873/4885ALDH1A1 2363/4885LMNA 1220/4885

“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.