SCHEMBL12459115

SCHEMBL12459115

COCc1ncc(C(C)(C)C)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ APP P05067 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL12459207 0.84 LMNA (0.31) LMNAPOLBRAB9AATML3MBTL1
SCHEMBL22752560 0.82 NPC1 (0.33) LMNARAB9A
SCHEMBL22778707 0.82 ESR1 (0.31) LMNA
SCHEMBL12457547 0.75 LMNA (0.44) LMNARAB9AALDH1A1APEX1RECQL
SCHEMBL12457981 0.75 LMNA (0.35) LMNARAB9AALDH1A1APEX1RECQL
SCHEMBL830406 0.75 LMNA (0.30) LMNAPOLBRAB9AATML3MBTL1
SCHEMBL22752550 0.74 CNR2 (0.33) —
SCHEMBL16133696 0.74 PIK3CD (0.38) LMNAPOLBRAB9AATML3MBTL1
SCHEMBL24655819 0.73 LMNA (0.42) LMNAPOLBRAB9AALDH1A1ALOX15
SCHEMBL21135180 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 — — 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 (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 LMNA 627/4885POLB 10/4885RAB9A 3316/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LMNA 897/4885POLB 14/4885RAB9A 3133/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LMNA 627/4885POLB 10/4885RAB9A 3316/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI LMNA 1541/4885POLB 3732/4885RAB9A 1876/4885

“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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