SCHEMBL4620915

SCHEMBL4620915

CC(=O)NCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
CACNA2D1 P54289 1/20 0.46
CYP3A4 P08684 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45

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
SCHEMBL4620951 0.90 KIF11 (0.53) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4620225 0.82 RAB9A (0.54) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6026954 0.79 ALDH1A1 (0.56) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6096918 0.79 ALDH1A1 (0.58) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL4620824 0.78 HDAC1 (0.45) POLBLMNACYP2C19CYP3A4GAA
SCHEMBL4620627 0.77 TACR1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2ACYP2C19
SCHEMBL13615672 0.75 TSHR (0.56) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL14306124 0.75 RAB9A (0.54) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL2351103 0.74 PDE4A (0.56) RAB9APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL7257039 0.74 PDE4A (0.56) RAB9APOLBALDH1A1SMN1; SMN2LMNA

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-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US claimed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP disclosed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 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-20080234299-A1 Quinazolinones H1-3, NDUFS3, CCNT1 RAB9A 229/4885POLB 3558/4885ALDH1A1 1410/4885

“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.