SCHEMBL26323396

SCHEMBL26323396

CC1=NCCC(Oc2ccc3[nH]c(-c4ccc(C)nc4)nc3c2)=C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ PKM P14618 2/20 0.48
▸ CHEK2 O96017 6/20 0.38
▸ ACHE P22303 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL26323371 0.82 CBFB (0.36) NPC1RAB9APKMCHEK2ACHE
SCHEMBL18365245 0.72 NPC1 (0.68) NPC1RAB9APKMCHEK2ACHE
SCHEMBL24075318 0.68 RAB9A (0.66) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL13243547 0.67 NPC1 (0.64) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL3335441 0.67 NPC1 (1.00) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL18365234 0.66 NPC1 (0.59) NPC1RAB9APKMCHEK2KDM4E
SCHEMBL13533785 0.66 NPC1 (0.62) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL18375988 0.66 NPC1 (0.57) NPC1RAB9APKMCHEK2KDM4E
SCHEMBL26323330 0.64 KDR (0.42) NPC1RAB9ACHEK2KDM4EALDH1A1
SCHEMBL9306624 0.63 HPSE (0.52) NPC1RAB9APKMCHEK2KDM4E

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NPC1 1106/4885RAB9A 1430/4885PKM 495/4885

“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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