SCHEMBL2884188

SCHEMBL2884188

O=C(NCCCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PARP1 P09874 5/20 0.54
PARP2 Q9UGN5 1/20 0.54
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NLRP1 Q9C000 1/20 0.52
ACHE P22303 2/20 0.51
NAAA Q02083 1/20 0.49
PDE10A Q9Y233 1/20 0.49
GLA P06280 1/20 0.47
POLB P06746 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
SCHEMBL6790812 0.76 TNKS (0.59) KDM4ELMNACYP2C9CYP2C19PARP1
SCHEMBL28049891 0.75 PARP1 (0.71) KDM4ELMNACYP2C9CYP2C19PARP1
SCHEMBL4852668 0.74 PARP1 (0.69) CYP2C9CYP2C19PARP1PARP2PDE10A
SCHEMBL29735862 0.74 PARP1 (0.83) CYP2C9CYP2C19PARP1PARP2MAPT
SCHEMBL15575028 0.74 PARP1 (0.83) CYP2C9CYP2C19PARP1PARP2MAPT
SCHEMBL30495504 0.74 PARP1 (0.65) CYP2C9CYP2C19PARP1PARP2MAPT
SCHEMBL6795780 0.74 PARP1 (0.61) PARP1PARP2ALDH1A1TSHRPDE10A
SCHEMBL30176852 0.74 PARP1 (0.73) LMNAPARP1PARP2ALDH1A1PDE10A
SCHEMBL23073611 0.74 PARP1 (0.73) KDM4ELMNACYP2C9CYP2C19PARP1
SCHEMBL16404338 0.73 PDE10A (0.84) KDM4ELMNAPARP1PARP2MAPT

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-1940407-B1 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed
US-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2010-10-21 US disclosed
EP-1940407-A2 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007038444-A3 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-08-09 WO disclosed
WO-2007038444-A2 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-05 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-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators AR, FSHR, SHBG KDM4E 521/4885LMNA 2827/4885CYP2C9 1627/4885

“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.