SCHEMBL24434618

SCHEMBL24434618

CC(C)/C=C\c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HBB P68871 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
JUN P05412 1/20 0.45

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
SCHEMBL9967777 1.00 NPC1 (0.52) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL23639908 0.79 NPC1 (0.41) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL19538940 0.79 MAPT (0.41) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL24434864 0.78 SMN1; SMN2 (0.38) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL138489 0.76 MAPT (0.61) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL107198 0.76 MAPT (0.61) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL24299463 0.75 CYP3A4 (0.37) SMN1; SMN2CYP1A2KDM4ECYP3A4CYP2D6
SCHEMBL6299957 0.75 MAPT (0.40) NPC1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL56244 0.75 MAOB (0.50) CYP1A2MEN1KMT2ANFE2L2
SCHEMBL6844031 0.75 MAOB (0.50) CYP1A2MEN1KMT2ANFE2L2

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G NPC1 407/4885SMN1; SMN2 4057/4885RAB9A 222/4885

“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.