SCHEMBL4485368

SCHEMBL4485368

CN(C)c1cc(-c2ccc(Cl)cc2)cnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.40
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
KIT P10721 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL4477476 0.77 MAP4K4 (0.45) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4476412 0.77 AHR (0.48) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4493973 0.76 MAP4K4 (0.37) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2323282 0.74 MAP4K4 (0.42) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2324810 0.74 PIK3CD (0.51) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL5199400 0.73 NPC1 (0.41) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4477379 0.73 ALDH1A1 (0.37) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1346652 0.70 MAP4K4 (0.58) MAP4K4KMT2ACYP1A2KCNH2MINK1
SCHEMBL17450942 0.70 MAPT (0.45) MAP4K4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3644251 0.69 ALDH1A1 (0.51) MAP4K4NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAP4K4 2864/4885KMT2A 1176/4885NPC1 509/4885

“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.