SCHEMBL3327166

SCHEMBL3327166

CC(C)(C)OC(=O)Nc1cc(Cl)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 12/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HPGD P15428 2/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CHRNA7 P36544 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL31458629 1.00 KCNMA1 (0.54) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL4123552 0.88 HSP90AA1 (0.51) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL31122314 0.88 HSP90AA1 (0.51) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL3787046 0.87 KMT2A (0.54) MEN1KMT2AHPGDHSP90AA1HSP90AB1
SCHEMBL28738831 0.86 PDK1 (0.56) POLBMEN1KMT2AHPGDHSP90AA1
SCHEMBL4568010 0.84 LMNA (0.56) POLBMEN1KMT2AGAALMNA
SCHEMBL29991673 0.84 LMNA (0.56) POLBMEN1KMT2AGAALMNA
SCHEMBL2031546 0.84 KCNMA1 (0.54) KCNMA1POLBHPGDGAATP53
SCHEMBL7254652 0.83 KCNMA1 (0.61) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL23954504 0.83 KMT2A (0.47) MEN1KMT2AHPGDHSP90AA1HSP90AB1

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-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
US-9169221-B2 Dihydro 1,4-benzoxazines and method of synthesizing the same using sulfonium salts COMSATS INSTITUTE OF INFORMATION TECHNOLOGY (PK) 2015-10-27 US disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140323720-A1 DIHYDRO 1,4-BENZOXAZINES AND METHOD OF SYNTHESIZING THE SAME USING SULFONIUM SALTS COMSATS INSTITUTE OF INFORMATION TECHNOLOGY (PK) 2014-10-30 US disclosed
EP-2785717-A1 PYRAZOLOPYRROLIDINE COMPOUNDS Novartis AG (CH) 2014-10-08 EP disclosed
WO-2013080141-A1 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2013-06-06 WO disclosed
WO-2013080141-A1 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2013-06-06 WO disclosed
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 WO disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 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 (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-20140350010-A1 Pyrazolopyrrolidine Compounds MDM4, MDM2, TP53 KCNMA1 3145/4885POLB 1013/4885MEN1 152/4885
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNH1, KCNJ2, KCNN2 KCNMA1 16/4885POLB 4819/4885MEN1 2906/4885
US-20140323720-A1 DIHYDRO 1,4-BENZOXAZINES AND METHOD OF SYNTHESIZING THE SAME USING SULFONIUM SALTS ZYX, KDM5A, KDM4A KCNMA1 623/4885POLB 4172/4885MEN1 2955/4885

“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.