SCHEMBL1839883

SCHEMBL1839883

O=C(CCCCCl)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.66
HDAC8 Q9BY41 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
PTPN1 P18031 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
CES2 O00748 1/20 0.52
CES1 P23141 1/20 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
SCHEMBL2821005 0.98 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL10971761 0.95 HDAC1 (0.63) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL11253655 0.88 SMN1; SMN2 (0.67) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL8780100 0.85 HDAC1 (0.68) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL13443094 0.85 PTPN1 (0.69) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL7387271 0.83 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL3381304 0.83 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL8598241 0.83 HDAC1 (0.66) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL12065064 0.83 SMN1; SMN2 (0.67) HDAC1HDAC8SMN1; SMN2KDM4EHPGD
SCHEMBL3379543 0.83 HDAC1 (0.70) HDAC1HDAC8SMN1; SMN2KDM4EHPGD

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
US-11730705-B2 Small molecule CMKLR1 antagonists in inflammatory disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-08-22 US disclosed
US-11730705-B2 Small molecule CMKLR1 antagonists in inflammatory disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-08-22 US disclosed
US-20200345661-A1 SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-05 US disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
US-8293732-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-23 US disclosed
US-8293732-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-23 US disclosed
EP-1898914-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-15 EP disclosed
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2011-07-07 US disclosed
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2011-07-07 US disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2010-02-04 US disclosed
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2010-02-04 US disclosed
WO-2008068268-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068270-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2007000435-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 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 (6 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-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, HRH1, HRH2 HDAC1 1943/4885HDAC8 3711/4885SMN1; SMN2 4688/4885
US-20200345661-A1 SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE CMKLR1, CMKLR2, IL1RN HDAC1 2763/4885HDAC8 2253/4885SMN1; SMN2 3677/4885
US-11730705-B2 Small molecule CMKLR1 antagonists in inflammatory disease CMKLR1, CMKLR2, IL1RN HDAC1 2763/4885HDAC8 2253/4885SMN1; SMN2 3677/4885
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB7, NDUFB5 HDAC1 976/4885HDAC8 3428/4885SMN1; SMN2 2728/4885
US-20110166179-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 HDAC1 976/4885HDAC8 3361/4885SMN1; SMN2 2755/4885
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 HDAC1 1035/4885HDAC8 3440/4885SMN1; SMN2 2488/4885

“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.