SCHEMBL4306015

SCHEMBL4306015

O=C(Nc1cccc2c1C(=O)N(CCC(=O)N1CCNCC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
STK33 Q9BYT3 1/20 0.39
F10 P00742 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4308690 0.91 STK33 (0.40) ALDH1A1HSD17B10HPGDKMT2AGAA
SCHEMBL4310711 0.89 KMT2A (0.46) ALDH1A1HSD17B10HPGDKMT2AGAA
SCHEMBL4307542 0.89 SMN1; SMN2 (0.55) ALDH1A1HSD17B10HPGDKMT2AGAA
SCHEMBL6697362 0.85 SMN1; SMN2 (0.51) ALDH1A1HSD17B10HPGDKMT2AGAA
SCHEMBL4309398 0.85 HSD17B10 (0.48) ALDH1A1HSD17B10KMT2AACHESMN1; SMN2
SCHEMBL4314316 0.84 ACHE (0.45) ALDH1A1HSD17B10HPGDKMT2AGAA
SCHEMBL4313283 0.83 F10 (0.53) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL4309533 0.83 F10 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2F10
SCHEMBL4305977 0.83 ACHE (0.54) ALDH1A1HPGDACHESMN1; SMN2KDM4E
SCHEMBL4309891 0.81 ACHE (0.39) ALDH1A1HPGDACHESMN1; SMN2KDM4E

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-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
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
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 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 (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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 ALDH1A1 346/4885HSD17B10 504/4885HPGD 195/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ALDH1A1 166/4885HSD17B10 531/4885HPGD 433/4885

“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.