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SCHEMBL1222497

SCHEMBL1222497

O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ PIN1 Q13526 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CTSV O60911 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL12884492 0.91 PIN1 (0.39) ALDH1A1PIN1KMT2AMEN1NPC1
SCHEMBL13617481 0.86 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL8657646 0.83 ALDH1A1 (0.47) ALDH1A1PIN1KMT2AMEN1NPC1
SCHEMBL1621780 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL30468543 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL15865596 0.81 AAK1 (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2126106 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL1222953 0.78 ALDH1A1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL1222954 0.78 ALDH1A1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL21857352 0.76 PIN1 (0.56) PIN1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 — — US disclosed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 — — US disclosed
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 — — EP disclosed
US-8450341-B2 Substituted indolin-2-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2013-05-28 — — US disclosed
EP-2280953-B1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2012-05-09 — — EP disclosed
CN-102026972-A New substituted spiro[cycloalkyl-1,3'-indol]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors ALMIRALL SA 2011-04-20 — — CN disclosed
CN-102015680-A New substituted indolin-2-one derivatives and their use as p38 mitogen-activated kinase inhibitors ALMIRALL SA 2011-04-13 — — CN disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 — — US disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 — — US disclosed
US-20110046097-A1 SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-02-24 — — US disclosed
EP-2280953-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS Almirall, S.A. (ES) 2011-02-09 — — EP disclosed
EP-2280943-A1 NEW SUBSTITUTED SPIROÝCYCLOALKYL-1,3'-INDOL¨-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. Almirall, S.A. (ES) 2011-02-09 — — EP disclosed
WO-2009132774-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S. A. (ES) 2009-11-05 — — WO disclosed
EP-2113503-A1 New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-11-04 — — EP disclosed
EP-2113503-A1 New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-11-04 — — EP disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 — — WO disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 — — 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 (2 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-20110046097-A1 SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAPKAPK2, MAPK7 ALDH1A1 2374/4885PIN1 898/4885KMT2A 3611/4885
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 ALDH1A1 1423/4885PIN1 957/4885KMT2A 4461/4885

“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.