SCHEMBL4993371

SCHEMBL4993371

O=C(Nc1ccnc2ccccc12)c1ccc2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
JAK2 O60674 1/20 0.52
MAOB P27338 4/20 0.52
DNMT1 P26358 2/20 0.51
DNMT3A Q9Y6K1 2/20 0.51
DNMT3L Q9UJW3 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
EIF4H Q15056 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL5409621 0.78 MAOB (0.60) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL5417481 0.77 NPC1 (0.60) NPC1RAB9AJAK2MAOBMEN1
SCHEMBL5412611 0.77 NPC1 (0.63) NPC1RAB9AJAK2MAOBMEN1
SCHEMBL5415057 0.77 RAB9A (0.58) NPC1RAB9AJAK2MAOBCYP1A2
SCHEMBL5182382 0.76 NPC1 (0.75) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL5417950 0.76 NPC1 (0.56) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL5425600 0.75 NPC1 (0.64) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL5412584 0.74 MAOB (0.64) NPC1RAB9AJAK2MAOBMEN1
SCHEMBL5415117 0.73 MAOB (0.80) NPC1RAB9AJAK2MAOBL3MBTL1
SCHEMBL9959880 0.73 MAOB (0.63) NPC1RAB9AJAK2MAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US claimed

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R NPC1 168/4885RAB9A 1460/4885JAK2 337/4885

“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.