SCHEMBL4814491

SCHEMBL4814491

CCCC(=O)Nn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CTSD P07339 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL11011551 0.88 HPGD (0.47) CA1CA2SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4786847 0.85 KDM4E (0.38) KMT2ATP53EGLN3ALDH1A1KDM4E
SCHEMBL3961900 0.78 ALDH1A1 (0.37) SMN1; SMN2EGLN3ALDH1A1NPC1KDM4E
SCHEMBL1906544 0.75
SCHEMBL30738419 0.75 HDAC3 (0.44) TP53CA12CA1CA2CA9
SCHEMBL11067549 0.74 ALDH1A1 (0.39) EGLN3ALDH1A1
SCHEMBL10662530 0.74 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28307730 0.73 CYP3A4 (0.37) MEN1KMT2AEGLN3ALDH1A1MAPT
SCHEMBL27427200 0.73 HTT (0.41) KMT2AEGLN3ALDH1A1MAPTHPGD
SCHEMBL170781 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO 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 (5 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 MEN1 3370/4885KMT2A 360/4885TP53 237/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 MEN1 3278/4885KMT2A 348/4885TP53 681/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 MEN1 3280/4885KMT2A 355/4885TP53 666/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 MEN1 3835/4885KMT2A 420/4885TP53 963/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 MEN1 3330/4885KMT2A 364/4885TP53 682/4885

“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.