SCHEMBL4892327

SCHEMBL4892327

COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Nc3ccccn3)n2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ AURKA O14965 1/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ P4HTM Q9NXG6 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL4892317 0.89 MECP2 (0.43) SMN1; SMN2NPC1RAB9AAURKAMAPK1
SCHEMBL4899989 0.79 KDM4E (0.44) SMN1; SMN2NPC1RAB9AAURKAMAPK1
SCHEMBL15498446 0.79 P4HTM (0.62) SMN1; SMN2NPC1RAB9AHPGDSMAPK1
Methyl Nicotinate SCHEMBL5258435 0.77 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AAURKAKDM4E
SCHEMBL4899171 0.74 SYK (0.43) SMN1; SMN2NPC1RAB9AMAPK1KDM4E
SCHEMBL70712 0.74 MAPK1 (0.69) NPC1RAB9AHPGDSMAPK1P4HTM
SCHEMBL29651058 0.74 MAPK1 (0.69) NPC1RAB9AHPGDSMAPK1P4HTM
SCHEMBL29651074 0.74 MAPK1 (0.69) NPC1RAB9AHPGDSMAPK1P4HTM
SCHEMBL6093171 0.72 NPC1 (0.68) SMN1; SMN2NPC1RAB9AAURKAKDM4E
SCHEMBL27193130 0.70 AXL (0.47) SMN1; SMN2NPC1RAB9AMAPK1P4HTM

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 — — 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 SMN1; SMN2 3670/4885NPC1 1509/4885RAB9A 3132/4885

“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.

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