SCHEMBL3380643

SCHEMBL3380643

O=C(Nc1cccc2c1C(=O)OC2=O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
STK33 Q9BYT3 1/20 0.49
KMT2A Q03164 8/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 7/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRSS12 P56730 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR1 P03372 1/20 0.41
ESRRG P62508 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
SCHEMBL8230516 0.86 STK33 (0.39) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL1245083 0.84 HPGD (0.47) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL3379082 0.81 KDM4E (0.58) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL1245014 0.79 KMT2A (0.51) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL1244988 0.79 NPC1 (0.51) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL4303219 0.75 HPGD (0.46) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL5781754 0.73 HPGD (0.50) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL1244979 0.73 KMT2A (0.45) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL5782094 0.73 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2STK33KMT2A
SCHEMBL23934282 0.73 KDM4E (0.59) HPGDALDH1A1SMN1; SMN2STK33KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029586-B1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-11-24 EP disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2010-01-14 US disclosed
EP-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
EP-2029586-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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 (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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 HPGD 195/4885ALDH1A1 346/4885SMN1; SMN2 1980/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 HPGD 433/4885ALDH1A1 166/4885SMN1; SMN2 2271/4885
US-20100010060-A1 Isoindolin-1-One-, Isoindolin-3-One- and Isoindolin-1,3-Dione-Derivatives and Use Thereof ICAM1, SERPINC1, TFPI2 HPGD 25/4885ALDH1A1 229/4885SMN1; SMN2 3799/4885

“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.