SCHEMBL14876856

SCHEMBL14876856

COc1ccc2[nH]c(-c3csc4ccccc34)nc(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ GUSB P08236 1/20 0.42
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL15388637 0.82 AR (0.38) MAOBKDM4EMAPTCYP1A2GUSB
SCHEMBL14876857 0.82 GUSB (0.58) MAOBKDM4EHSD17B10GUSBNPC1
SCHEMBL14876858 0.81 ABCG2 (0.52) ABCG2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL14876999 0.79 ABCG2 (0.53) ABCG2MAOBALDH1A1KDM4EHPGD
SCHEMBL14876948 0.77 KIF11 (0.44) MAPTHSD17B10HTTTP53CDK5
SCHEMBL15389029 0.76 KIF11 (0.46) HPGDMAPTHTTTP53CDK5
SCHEMBL7669897 0.75 PDE2A (0.60) ABCG2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL7672854 0.75 KDM4E (0.50) ABCG2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL14877217 0.75 PRKDC (0.48) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL7674412 0.74 NR1I2 (0.61) ALDH1A1KDM4EHPGDKMT2AMEN1

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-9045437-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-06-02 — — US disclosed
US-9006239-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-04-14 — — US disclosed
US-8710064-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2014-04-29 — — US disclosed
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2014-01-16 — — US disclosed
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2013-11-21 — — US disclosed
US-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions CHINA MEDICAL UNIVERSITY (TW) 2013-04-25 — — 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-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions AQP4, KRAS, RB1 ABCG2 368/4885MAOB 1160/4885ALDH1A1 755/4885
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, NFE2, NR2E1 ABCG2 256/4885MAOB 971/4885ALDH1A1 1847/4885
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, RB1, NR2E1 ABCG2 217/4885MAOB 460/4885ALDH1A1 2164/4885

“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.

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