SCHEMBL8097610

SCHEMBL8097610

NC(=O)c1ccc2ccccc2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
WDR5 P61964 1/20 0.50
KMT2A Q03164 4/20 0.48
ATM Q13315 3/20 0.48
LDHA P00338 1/20 0.48
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCEH1 Q6PIU2 1/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
IKBKB O14920 2/20 0.44
MEN1 O00255 3/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL689752 0.84 WDR5 (0.66) CYP1A1CYP1B1WDR5KMT2ALDHA
SCHEMBL30791069 0.84 WDR5 (0.66) CYP1A1CYP1B1WDR5KMT2ALDHA
SCHEMBL5747379 0.83 KDM4E (0.66) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL2831990 0.82 CYP1A1 (0.55) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL8681263 0.82 CYP1A1 (0.55) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL13905710 0.82 CYP1A1 (0.55) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL6748668 0.82 WDR5 (0.68) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL356272 0.80 LDHA (0.69) CYP1A1CYP1B1WDR5KMT2ALDHA
SCHEMBL29486321 0.80 WDR5 (0.50) CYP1A1CYP1B1WDR5KMT2AATM
SCHEMBL599946 0.80 WDR5 (0.50) CYP1A1CYP1B1WDR5KMT2AATM

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 8 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
EP-0813112-B1 Photographic elements containing new magenta dye-forming couplers EASTMAN KODAK CO (US) 2000-12-13 EP disclosed
EP-0813112-A1 Photographic elements containing new magenta dye-forming couplers EASTMAN KODAK COMPANY (US) 1997-12-17 EP disclosed
US-5670302-A NAPHTHALENE COMPOUNDS SUBSTITUTED WITH HYDROXYL AND SECONDARY AMIDE GROUPS EASTMAN KODAK COMPANY (US) 1997-09-23 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 (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 CYP1A1 3318/4885CYP1B1 2380/4885WDR5 773/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CYP1A1 4126/4885CYP1B1 3243/4885WDR5 1102/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 CYP1A1 4161/4885CYP1B1 3325/4885WDR5 1074/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CYP1A1 3298/4885CYP1B1 2063/4885WDR5 1365/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CYP1A1 4182/4885CYP1B1 3348/4885WDR5 1107/4885

“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.