SCHEMBL12459152

SCHEMBL12459152

CONC(=O)Cc1ncc(C(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 1/20 0.37
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ CACNA1H O95180 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL12524803 0.81 PLA2G2A (0.34) ALDH1A1TDP1SMN1; SMN2MAPTRAB9A
SCHEMBL12459141 0.81 LMNA (0.43) CACNA1ILMNAALDH1A1ALOX15APEX1
SCHEMBL12523417 0.79 SMN1; SMN2 (0.35) LMNAALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL13765816 0.78 HTT (0.44) ALDH1A1SMN1; SMN2AGBL2RAB9A
SCHEMBL12459149 0.73 HDAC4 (0.36) CACNA1ITRPV1SMN1; SMN2RAB9ACYP2C19
SCHEMBL25096492 0.72 SMN1; SMN2 (0.45) LMNAALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL18622317 0.68 CYP4F2 (0.42) LMNAALDH1A1MAPK1MAPTKDM4E
SCHEMBL25097602 0.68 NPSR1 (0.41) LMNAALDH1A1ALOX15TRPV1MAPT
SCHEMBL12459115 0.67 LMNA (0.34) LMNAALDH1A1ALOX15APEX1MAPK1
SCHEMBL25097603 0.67 L3MBTL1 (0.43) LMNATDP1CACNA1HKDM4ECYP1A2

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 CACNA1I 2449/4885LMNA 627/4885ALDH1A1 1898/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CACNA1I 2377/4885LMNA 897/4885ALDH1A1 1726/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CACNA1I 2449/4885LMNA 627/4885ALDH1A1 1898/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B CACNA1I 2449/4885LMNA 627/4885ALDH1A1 1898/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CACNA1I 2377/4885LMNA 897/4885ALDH1A1 1726/4885

“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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