SCHEMBL3604586

SCHEMBL3604586

O=C(CCCCCl)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 6/20 0.44
TP53 P04637 1/20 0.44
HDAC8 Q9BY41 5/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13472220 0.98 L3MBTL1 (0.50) PARP1LMNAL3MBTL1MAPTTDP1
SCHEMBL1641363 0.95 PARP1 (0.50) PARP1LMNAL3MBTL1MAPTTDP1
SCHEMBL3357671 0.88 PARP1 (0.53) PARP1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL7821163 0.83 LMNA (0.67) PARP1LMNAL3MBTL1MAPTTDP1
SCHEMBL17952793 0.83 HSD17B3 (0.56) LMNAL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL3844203 0.83 HSD17B3 (0.56) LMNAL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL3896481 0.83 OGG1 (0.58) PARP1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL3455824 0.81 PARP1 (0.50) PARP1LMNAL3MBTL1MAPTTDP1
SCHEMBL7826009 0.81 LMNA (0.60) PARP1LMNAL3MBTL1MAPTTDP1
SCHEMBL5660410 0.81 ERCC5 (0.54) PARP1LMNAL3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099760-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-8293732-B2 Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-23 US disclosed
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (FR) 2010-02-04 US disclosed
CN-101547905-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R PARP1 4441/4885LMNA 4566/4885L3MBTL1 3754/4885
US-20100029679-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB7, NDUFB5 PARP1 3935/4885LMNA 2887/4885L3MBTL1 4057/4885

“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.