SCHEMBL12459149

SCHEMBL12459149

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ BCHE P06276 7/20 0.34
▸ ACHE P22303 7/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ MLYCD O95822 1/20 0.31
▸ PRMT3 O60678 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ POLQ O75417 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL12457520 0.82 BCHE (0.36) HDAC4HDAC6BCHEACHERAB9A
SCHEMBL16330628 0.79 HDAC4 (0.37) HDAC4HDAC6BCHEACHEMEN1
SCHEMBL19251150 0.79 FAAH (0.37) HDAC4HDAC6BCHEACHERAB9A
SCHEMBL18505712 0.78 HDAC4 (0.37) HDAC4HDAC6BCHEACHEKMT2A
SCHEMBL12459141 0.77 LMNA (0.43) RAB9ASMN1; SMN2CACNA1I
SCHEMBL25096492 0.74 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL16819725 0.74 RXRA (0.41) HDAC4HDAC6MEN1RAB9AKMT2A
SCHEMBL4692646 0.74 HDAC4 (0.49) HDAC4HDAC6MEN1RAB9AKMT2A
SCHEMBL12459152 0.73 CACNA1I (0.37) RAB9ATRPV1SMN1; SMN2CACNA1ICYP2C19
SCHEMBL13765816 0.73 HTT (0.44) RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
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-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 (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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC4 776/4885HDAC6 836/4885BCHE 947/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC4 1046/4885HDAC6 892/4885BCHE 731/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HDAC4 776/4885HDAC6 836/4885BCHE 947/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HDAC4 776/4885HDAC6 836/4885BCHE 947/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HDAC4 1046/4885HDAC6 892/4885BCHE 731/4885

“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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