SCHEMBL21579239

SCHEMBL21579239

CCC(C)(C)Nc1ncccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
FDPS P14324 4/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL18995633 0.86 NPC1 (0.45) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL4560912 0.81 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL31039477 0.81 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL23966356 0.81 CCNE2 (0.42) KDM4ESMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL19867133 0.79 TLR8 (0.47) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL6442879 0.74 KDM4E (0.57) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL4036232 0.73 FDPS (0.54) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL23612391 0.72 ALDH1A1 (0.46) KDM4ENPC1FDPSALDH1A1HTT
SCHEMBL15368480 0.72 NPC1 (0.61) RAB9AKDM4ENPC1SMN1; SMN2L3MBTL1
SCHEMBL6439936 0.71 TLR8 (0.52) RAB9AKDM4ENPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 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 (3 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB RAB9A 758/4885KDM4E 4173/4885NPC1 1284/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB RAB9A 758/4885KDM4E 4173/4885NPC1 1284/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB RAB9A 758/4885KDM4E 4173/4885NPC1 1284/4885

“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.