SCHEMBL4159187

SCHEMBL4159187

NCCOP(=O)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CA2 P00918 10/20 0.56
▸ CA12 O43570 9/20 0.56
▸ CA1 P00915 9/20 0.56
▸ CA4 P22748 9/20 0.56
▸ CA5A P35218 9/20 0.56
▸ CA7 P43166 9/20 0.56
▸ CA9 Q16790 9/20 0.56
▸ CA5B Q9Y2D0 9/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.46
▸ SRC P12931 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PKM P14618 1/20 0.39

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
SCHEMBL27769862 0.86 L3MBTL1 (0.68) TDP1L3MBTL1CA2CA12CA1
SCHEMBL20710851 0.83 L3MBTL1 (0.63) TDP1L3MBTL1CA2CA12CA1
SCHEMBL27747942 0.81 L3MBTL1 (0.61) TDP1L3MBTL1CA2CA12CA1
SCHEMBL29023841 0.80 TAAR1 (0.50) TDP1L3MBTL1TAAR1SRCLTA4H
SCHEMBL878309 0.80 TDP1 (0.59) TDP1L3MBTL1CA2CA12CA1
SCHEMBL561190 0.79 L3MBTL1 (1.00) TDP1L3MBTL1CA2CA12CA1
SCHEMBL10634585 0.79 L3MBTL1 (0.68) TDP1L3MBTL1CA2CA12CA1
SCHEMBL11128694 0.79 CA12 (0.70) TDP1L3MBTL1CA2CA12CA1
SCHEMBL11317521 0.78 TDP1 (0.56) TDP1L3MBTL1CA2CA12CA1
SCHEMBL27540640 0.78 TDP1 (0.56) TDP1L3MBTL1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
EP-1742642-B1 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2008-10-15 — — EP disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 — — EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 TDP1 542/4885L3MBTL1 269/4885CA2 4197/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TDP1 327/4885L3MBTL1 192/4885CA2 4698/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TDP1 327/4885L3MBTL1 192/4885CA2 4698/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 TDP1 537/4885L3MBTL1 164/4885CA2 4363/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE TDP1 135/4885L3MBTL1 495/4885CA2 4756/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE TDP1 135/4885L3MBTL1 495/4885CA2 4756/4885

“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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