SCHEMBL9949523

SCHEMBL9949523

O=C(O)Cc1cc2ccc(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
SRD5A2 P31213 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
ALOX5 P09917 1/20 0.51
MAOB P27338 2/20 0.51
ACHE P22303 1/20 0.51
FFAR1 O14842 3/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
FFAR4 Q5NUL3 2/20 0.49
PRMT5 O14744 1/20 0.48
MAOA P21397 1/20 0.47
MDH2 P40926 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
SCHEMBL15141030 0.90 SRD5A2 (0.68) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL27247548 0.82 ALOX5 (0.55) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL30920873 0.81 SRD5A2 (0.80) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3030893 0.81 SRD5A2 (0.80) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL7586633 0.80 FLT3 (0.52) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL6087004 0.79 FLT3 (0.66) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3416355 0.79 FLT3 (0.57) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL852375 0.78 KDM4E (0.67) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL853596 0.78 KDM4E (0.62) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8406972 0.77 FLT3 (0.70) FLT3ALDH1A1HPGDKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655372-B1 PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARQULE INC (US) 2016-03-16 EP disclosed
EP-2655372-A2 PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ArQule, Inc. (US) 2013-10-30 EP disclosed
US-8470786-B2 Pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same ARQULE, INC. (US) 2013-06-25 US disclosed
US-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same ARQULE, INC. (US) 2012-06-28 US disclosed
WO-2012088491-A2 PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARQULE, INC. (US) 2012-06-28 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-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same DHPS, PDCD5, DPYD FLT3 976/4885ALDH1A1 1136/4885HPGD 50/4885

“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.