SCHEMBL2819163

SCHEMBL2819163

Cc1c(F)ccc2ccc(=O)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.58
▸ CA9 Q16790 5/20 0.58
▸ DAO P14920 2/20 0.46
▸ HCAR1 Q9BXC0 3/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ AR P10275 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33

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
SCHEMBL6370054 0.79 CA12 (0.49) CA12CA9DAOHCAR1CA1
SCHEMBL705402 0.79 CA12 (0.62) CA12CA9DAOHCAR1CA1
SCHEMBL12569582 0.79 CA12 (0.47) CA12CA9DAOHCAR1CA1
SCHEMBL3430465 0.78 CA12 (0.60) CA12CA9DAOCA1CA3
SCHEMBL3784446 0.78 CA12 (0.55) CA12CA9HCAR1CA1CA3
SCHEMBL3140886 0.76 CA12 (0.58) CA12CA9HCAR1CA1CA3
SCHEMBL2820360 0.76 CA12 (0.58) CA12CA9HCAR1CA1CA3
SCHEMBL14726207 0.76 KDM4E (0.56) CA12CA9HCAR1CA1CA3
SCHEMBL1438126 0.76 CA12 (0.44) CA12CA9HCAR1CA1CA3
Hydrochloric Acid SCHEMBL9431750 0.74 KDM4E (0.54) CA12CA9HCAR1CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 — — EP disclosed
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 — — EP disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 — — US disclosed
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 — — EP disclosed
CN-101678015-A Pyrrolo (3, 2, 1-ij) quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LTD 2010-03-24 — — CN disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 — — US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 — — EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 — — US disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 — — EP disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 — — EP disclosed
CN-101346379-A Per-cyclic tricyclic compounds useful as antibacterial agents GLAXO GROUP LTD (GB) 2009-01-14 — — CN disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 — — US disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 — — WO disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 — — WO disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 — — EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 — — US disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 — — EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 — — WO disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 — — WO 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT CA12 2344/4885CA9 1620/4885DAO 397/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 CA12 2476/4885CA9 1182/4885DAO 295/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 CA12 4034/4885CA9 2867/4885DAO 346/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CA12 4783/4885CA9 4146/4885DAO 355/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 CA12 2814/4885CA9 1159/4885DAO 114/4885

“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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