SCHEMBL7005388

SCHEMBL7005388

O=c1[nH]c(=O)n2c3c(cccc13)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
MCL1 Q07820 1/20 0.49
CDK4 P11802 6/20 0.48
CCND1 P24385 6/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7004582 0.95 HPGD (0.50) HPGDALDH1A1HSD17B10USP2KDM4E
SCHEMBL6999859 0.90 KMT2A (0.50) HPGDALDH1A1HSD17B10USP2KDM4E
SCHEMBL4850347 0.82 HTR1A (0.55) HPGDALDH1A1HSD17B10USP2CDK4
Hydrochloric Acid SCHEMBL7001168 0.78 HTR2C (0.52) HSD17B10KDM4ECYP1A2CDK4CCND1
SCHEMBL4573122 0.78 HTR1A (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7005451 0.75 HTR3A (0.36) HPGDALDH1A1HSD17B10KDM4ELMNA
SCHEMBL7005560 0.73 HTR3A (0.35) HPGDALDH1A1HSD17B10KDM4ELMNA
SCHEMBL10675886 0.72 ALDH1A1 (0.55) HPGDALDH1A1HSD17B10USP2KDM4E
SCHEMBL7005934 0.72 HTR1A (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7002260 0.72 KDM4E (0.35) HPGDALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916573-B2 Quinazoline-2,4-dione derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-23 US disclosed
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-19 US disclosed
US-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 EP 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 HPGD 267/4885ALDH1A1 337/4885HSD17B10 826/4885
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES NQO2, H1-3, H1-0 HPGD 2639/4885ALDH1A1 1666/4885HSD17B10 1904/4885

“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.