SCHEMBL21489892

SCHEMBL21489892

NC1CCC(NC(=O)c2n[nH]c3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
SMYD3 Q9H7B4 1/20 0.74
DYRK1A Q13627 4/20 0.63
WNT1 P04628 3/20 0.63
USP30 Q70CQ3 1/20 0.60
CHRNA7 P36544 5/20 0.58
HTR3A P46098 2/20 0.58
YTHDC1 Q96MU7 1/20 0.56
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
FLT3 P36888 1/20 0.53
CCNA1 P78396 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
IDO1 P14902 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL19710468 1.00 NPC1 (0.78) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL30068489 0.88 NPC1 (0.80) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL26400414 0.86 NPC1 (0.97) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL4384530 0.86 NPC1 (0.82) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL23575893 0.85 SMYD3 (1.00) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL19710407 0.85 SMYD3 (1.00) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL6950689 0.82 NPC1 (0.74) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL29732688 0.82 NPC1 (0.74) NPC1RAB9ASMYD3DYRK1AWNT1
SCHEMBL2087351 0.81 NPC1 (0.72) NPC1RAB9ASMYD3DYRK1AUSP30
SCHEMBL7378117 0.80 NPC1 (0.71) NPC1RAB9ASMYD3DYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 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 (2 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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 NPC1 3734/4885RAB9A 890/4885SMYD3 1/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 NPC1 3830/4885RAB9A 736/4885SMYD3 2/4885

“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.