SCHEMBL4593680

SCHEMBL4593680

CN(CCCC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 1/20 0.57
CASP3 P42574 1/20 0.57
RAB9A P51151 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
SIGMAR1 Q99720 8/20 0.56
TMEM97 Q5BJF2 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4A O75164 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTR7 P34969 3/20 0.53
ACKR3 P25106 1/20 0.52
FAAH O00519 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
SCHEMBL11982951 0.95 KDM4A (0.60) KMT2ATDP1NPC1CASP3RAB9A
SCHEMBL6338596 0.90 KMT2A (0.77) KMT2ATDP1NPC1CASP3RAB9A
SCHEMBL11982908 0.90 TMEM97 (0.67) KMT2ANPC1RAB9ASIGMAR1TMEM97
Hydrochloric Acid SCHEMBL5181661 0.89 KMT2A (0.74) KMT2ATDP1NPC1CASP3RAB9A
SCHEMBL11126800 0.87 KMT2A (0.77) KMT2ATDP1NPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL7449337 0.86 TMEM97 (0.62) KMT2ANPC1RAB9ASIGMAR1TMEM97
Hydrochloric Acid SCHEMBL11113894 0.86 KMT2A (0.75) KMT2ATDP1NPC1CASP3RAB9A
SCHEMBL2676817 0.85 KDM4A (0.67) NPC1RAB9ASMN1; SMN2SIGMAR1TMEM97
SCHEMBL8547157 0.83 SIGMAR1 (0.58) NPC1RAB9ASMN1; SMN2SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL8891865 0.83 KDM4A (0.68) SMN1; SMN2SIGMAR1TMEM97L3MBTL1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912649-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-10-10 EP disclosed
CN-101277698-B Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV 2011-06-22 CN disclosed
CN-1910177-B Substituted quinolines and their use as mycobacterial inhibitors JANSSEN PHARMACEUTICA NV 2010-05-05 CN disclosed
CN-101277698-A Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2008-10-01 CN disclosed
US-20080227775-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-18 US disclosed
EP-1912649-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
EP-1711492-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-04-16 EP disclosed
US-7338949-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
WO-2007095756-A1 NOVEL CENTRAL-NERVOUS SYSTEM ACTING COMPOUNDS AND METHODS FOR THE TREATMENT OF CNS DISORDERS CLERA INC. (CA) 2007-08-30 WO disclosed
US-20070082895-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 US disclosed
WO-2007014934-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
CN-1910177-A Substituted quinolines and their use as mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 CN 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-20080227775-A1 Quinoline Derivatives as Antibacterial Agents NQO2, HRH1, HRH2 KMT2A 3311/4885TDP1 3482/4885NPC1 1309/4885
US-20070082895-A1 Novel mycobacterial inhibitors HRH4, NAT1, CBR3 KMT2A 3491/4885TDP1 3302/4885NPC1 516/4885

“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.