SCHEMBL25587283

SCHEMBL25587283

CC(C)(C)OC(=O)NCCCNC(=O)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
POLB P06746 1/20 0.45
CA14 Q9ULX7 1/20 0.44
EPHX1 P07099 1/20 0.44
HTT P42858 1/20 0.43
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL25590140 0.92 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.90 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.86 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL20045685 0.85 CA14 (0.60) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3910909 0.84 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557057 0.84 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12990194 0.84 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 TDP1 660/4885MEN1 3065/4885GAA 3327/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP TDP1 780/4885MEN1 2905/4885GAA 3320/4885

“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.