SCHEMBL18307631

SCHEMBL18307631

CC(C)(C)C(=O)NCc1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTGES O14684 3/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL20233519 0.83 HDAC6 (0.42) MAPTHDAC6CA1CA2CA7
SCHEMBL12265783 0.79 SMN1; SMN2 (0.67) L3MBTL1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL14590706 0.78 NPSR1 (0.52) MAPTHDAC6L3MBTL1SMN1; SMN2KDM4E
SCHEMBL17035934 0.77 KDM4A (0.47) L3MBTL1KDM4E
SCHEMBL19318542 0.76 CYP2C9 (0.51) MAPTHDAC6CA1CA2CA7
SCHEMBL19318508 0.76 RIPK1 (0.42) MAPTHDAC6CA1CA2CA7
SCHEMBL25587531 0.76 ADORA2A (0.48) —
SCHEMBL17057294 0.75 SMN1; SMN2 (0.42) POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL25587529 0.75 ADORA2A (0.45) MAPTHDAC6RIPK1
SCHEMBL19318510 0.75 RIPK1 (0.48) MAPTHDAC6CA1CA2CA7

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 9 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
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 — — EP 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
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-10-07 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 — — 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 (4 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 MAPT 2472/4885HDAC6 1870/4885CA1 4865/4885
US-20210309652-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PRDX1, CYP4X1, RDX MAPT 4027/4885HDAC6 935/4885CA1 2628/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MAPT 4552/4885HDAC6 848/4885CA1 1728/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP MAPT 2572/4885HDAC6 1725/4885CA1 4847/4885

“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.

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