SCHEMBL8540107

SCHEMBL8540107

CSc1ccc(CCC(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC6A4 P31645 4/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
PLK1 P53350 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL10695915 0.89 MMP12 (0.44) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL9135914 0.83 FFAR1 (0.50) MMP12KDM4EMEN1KMT2AATM
SCHEMBL7953221 0.82 ALDH1A1 (0.59) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL46690 0.82 FFAR1 (0.59) MMP12MMP13FFAR1FFAR4
SCHEMBL5677026 0.81 ALDH1A1 (0.49) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL2407621 0.80 SMN1; SMN2 (0.46) MMP12MMP13SMN1; SMN2KDM4EMEN1
SCHEMBL4979314 0.78 PLAAT3 (0.45) MEN1KMT2AFFAR1PLAAT3PLAAT5
SCHEMBL13485787 0.78 HDAC1 (0.61) SLC6A4
SCHEMBL835726 0.78 CYP4F2 (0.47) MMP12MMP13KDM4EKMT2AFFAR1
SCHEMBL1446802 0.78 FFAR1 (0.55) SMN1; SMN2FFAR1PLAAT3PLAAT5PLAAT2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841425-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
US-9133167-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-09-15 US disclosed
US-20150065502-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2015-03-05 US disclosed
EP-2841425-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2015-03-04 EP disclosed
WO-2013160435-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-31 WO disclosed
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 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 (1 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-20150065502-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MMP12 2125/4885MMP13 4310/4885SMN1; 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.