SCHEMBL3738488

SCHEMBL3738488

ClCc1ccccc1CN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 8/20 0.69
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
HRH3 Q9Y5N1 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CXCR4 P61073 1/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL11193326 0.90 CYP2A13 (0.75) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL10513466 0.86 CYP2A13 (0.65) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL27692704 0.82 CYP2A13 (0.51) CYP2A13KMT2AMEN1HRH3
SCHEMBL4108619 0.81 CYP2A13 (0.69) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL22711364 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL3311657 0.81 CYP2A13 (1.00) CYP2A13ALDH1A1KDM4EGAAMAPT
SCHEMBL111727 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL2251851 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL3730392 0.80 CYP2A13 (0.67) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL11201072 0.80 CYP2A13 (0.62) CYP2A13ALDH1A1CYP2C9KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101796038-B Oxazole tyrosine kinase inhibitors SAREUM LTD. (GB) 2014-10-29 CN disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
CN-1976706-B FGFR3 inhibition and treatment of multiple myeloma NOVARTIS VACCINES & DIAGNOSTIC 2012-01-18 CN disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
CN-101796038-A Oxazole tyrosine kinase inhibitors SAREUM LTD 2010-08-04 CN disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
CN-100526312-C Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2009-08-12 CN disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
CN-1976706-A FGFR3 inhibition and treatment of multiple myeloma CHIRON CORP (US) 2007-06-06 CN disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 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 (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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CYP2A13 292/4885ALDH1A1 276/4885CYP2C9 318/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CYP2A13 290/4885ALDH1A1 152/4885CYP2C9 329/4885

“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.