SCHEMBL10118184

SCHEMBL10118184

CNC(=O)Cc1ccc(SC)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.48
▸ SLC6A4 P31645 4/20 0.46
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PTPRZ1 P23471 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL16582911 0.83 AOC2 (0.54) SIGMAR1SLC6A4SMN1; SMN2EPHX2NR1H4
SCHEMBL21654480 0.80 CA2 (0.46) LMNAKDM4ENR1H4KMT2AALDH1A1
SCHEMBL46640 0.78 CA2 (0.56) SIGMAR1SLC6A4LMNASMN1; SMN2KDM4E
SCHEMBL171860 0.78 HPGD (0.59) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL333393 0.78 LMNA (0.49) LMNAKMT2AALDH1A1POLBHDAC4
SCHEMBL1972574 0.78 LMNA (0.68) SIGMAR1LMNASMN1; SMN2KDM4EPOLB
SCHEMBL4475117 0.78 PLK1 (0.59) PLK1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL2398565 0.78 POLB (0.48) PLK1SIGMAR1SLC6A4LMNASMN1; SMN2
SCHEMBL10569182 0.78 CA2 (0.56) LMNAKDM4ENR1H4MAPTKMT2A
SCHEMBL1551331 0.77 CYP4F2 (0.59) SLC6A4LMNASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 — — US disclosed
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 — — US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 — — US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 — — US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 — — EP disclosed
US-8053418-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2011-11-08 — — US disclosed
US-8053418-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2011-11-08 — — US disclosed
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-04 — — US disclosed
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-04 — — US disclosed
EP-1849796-A1 ANTI-PENICILLIN RESISTANT PNEUMOCOCCI AGENT AND NOVEL 16-MEMBERED RING MACROLIDE DERIVATIVE Microbial Chemistry Research Foundation (JP) 2007-10-31 — — EP 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 (3 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PLK1 551/4885SIGMAR1 4127/4885SLC6A4 2415/4885
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A PLK1 2590/4885SIGMAR1 4278/4885SLC6A4 4447/4885
US-20080300388-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A PLK1 2590/4885SIGMAR1 4278/4885SLC6A4 4447/4885

“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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