SCHEMBL12457520

SCHEMBL12457520

CON(C)C(=O)Cc1ncc(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 10/20 0.36
▸ ACHE P22303 10/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PRMT3 O60678 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ APLNR P35414 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16330628 0.83 HDAC4 (0.37) BCHEACHEHDAC4HDAC6PRMT3
SCHEMBL19251150 0.83 FAAH (0.37) BCHEACHEHDAC4HDAC6PRMT3
SCHEMBL18505712 0.82 HDAC4 (0.37) BCHEACHEHDAC4HDAC6PRMT3
SCHEMBL12459149 0.82 HDAC4 (0.36) BCHEACHEHDAC4HDAC6PRMT3
SCHEMBL25680862 0.82 GABRA1 (0.36) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL12527635 0.80 ALOX5 (0.38) BCHEACHEAPLNR
SCHEMBL12457570 0.74 HSP90AB1 (0.41) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL25680845 0.73 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL19550744 0.73 APLNR (0.37) ALDH1A1RAB9AAPLNR
SCHEMBL8064820 0.71 HDAC4 (0.49) HDAC4HDAC6FAAHHPGDRAB9A

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B BCHE 947/4885ACHE 1285/4885HDAC4 776/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B BCHE 731/4885ACHE 971/4885HDAC4 1046/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B BCHE 947/4885ACHE 1285/4885HDAC4 776/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B BCHE 947/4885ACHE 1285/4885HDAC4 776/4885

“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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