SCHEMBL6872111

SCHEMBL6872111

Clc1ccc2c(N[C@H]3CC[C@@H](Nc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.89
KMT5C Q86Y97 2/20 0.89
NSD2 O96028 1/20 0.80
CYP2D6 P10635 2/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CCR1 P32246 1/20 0.57
NR4A2 P43354 1/20 0.56
FERMT2 Q96AC1 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL7207215 1.00 KMT5B (0.89) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872121 1.00 KMT5B (0.89) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7206069 0.94 KMT5B (0.79) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7206080 0.94 KMT5B (0.79) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL3706336 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL3708467 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6861753 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL1147527 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL7836800 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL4811736 0.93 KMT5B (0.78) KMT5BKMT5CNSD2CYP2D6CYP2C19

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-0765313-B1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS HOFFMANN LA ROCHE (CH) 2003-08-20 EP claimed
EP-0765313-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-02 EP claimed
WO-1995035287-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F.HOFFMANN-LA ROCHE AG (CH) 1995-12-28 WO claimed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
EP-0765313-B1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-5736557-A MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM HOFFMAN-LA ROCHE, INC. (US) 1998-04-07 US disclosed
EP-0765313-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-02 EP disclosed
WO-1995035287-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F.HOFFMANN-LA ROCHE AG (CH) 1995-12-28 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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R KMT5B 1214/4885KMT5C 1285/4885NSD2 2914/4885

“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.