SCHEMBL2233882

SCHEMBL2233882

O=Cc1c(O)c2ccccc2sc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.53
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
CASP1 P29466 1/20 0.44
ERN1 O75460 3/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GPR3 P46089 1/20 0.40
MAOB P27338 3/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL14139042 0.81 KDM4E (0.44) PADI4ALDH1A1ALOX15KDM4ELMNA
SCHEMBL10948823 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4ELMNACASP1
SCHEMBL2929354 0.76 KDM4E (0.61) PADI4ALDH1A1ALOX15KDM4ELMNA
SCHEMBL13943720 0.74 MAPT (0.51) ALDH1A1ALOX15KDM4ELMNACASP1
SCHEMBL12426364 0.74 PADI4 (0.82) PADI4ALDH1A1KDM4ELMNAERN1
SCHEMBL2294425 0.74 LIMK1 (0.53) ALDH1A1ALOX15KDM4ELMNACASP1
SCHEMBL2233877 0.71 ALDH1A1 (0.44) ALDH1A1ALOX15KDM4ELMNACASP1
SCHEMBL2469312 0.70 LMNA (0.60) PADI4ALDH1A1ALOX15KDM4ELMNA
SCHEMBL9309021 0.70 PADI4 (1.00) PADI4ALDH1A1KDM4EERN1MAPT
SCHEMBL19225704 0.69 GPR3 (0.46) PADI4ALDH1A1ALOX15KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO disclosed
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 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 (1 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM PADI4 1173/4885ALDH1A1 2881/4885ALOX15 922/4885

“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.