SCHEMBL10220900

SCHEMBL10220900

CCCCOCc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ ATP4A P20648 9/20 0.44
▸ ATP4B P51164 9/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL10220899 0.84 RAB9A (0.56) GAAKDM4EALDH1A1L3MBTL1ATP4A
SCHEMBL16181392 0.83 RAB9A (0.54) KDM4EALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL16181387 0.83 ATP4A (0.50) ALDH1A1ATP4AATP4BNPC1RAB9A
SCHEMBL1313588 0.81 TSHR (0.55) GAAKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL12327207 0.80 GAA (0.64) GAAKDM4EALDH1A1L3MBTL1HTT
SCHEMBL10220902 0.74 GAA (0.59) GAAKDM4EALDH1A1L3MBTL1HTT
SCHEMBL5093936 0.74 GAA (0.59) GAAKDM4EALDH1A1HTTCYP1A1
SCHEMBL12434487 0.74 GAA (0.59) GAAKDM4EALDH1A1HTTCYP1A1
SCHEMBL202106 0.74 GAA (0.59) GAAKDM4EALDH1A1HTTCYP1A1
SCHEMBL2809395 0.72 GAA (0.74) GAAKDM4EALDH1A1L3MBTL1HPGD

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-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 — — US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 — — US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 — — EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 GAA 2923/4885KDM4E 819/4885ALDH1A1 787/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GAA 4454/4885KDM4E 2407/4885ALDH1A1 800/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 GAA 3241/4885KDM4E 1251/4885ALDH1A1 740/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GAA 4454/4885KDM4E 2407/4885ALDH1A1 800/4885

“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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