SCHEMBL13396259

SCHEMBL13396259

COC(=O)[C@H](CO)N(Cc1ccc(OC)cc1)C(=O)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
YAP1 P46937 4/20 0.53
TEAD4 Q15561 4/20 0.53
RNF4 P78317 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
BCL2A1 Q16548 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LDHA P00338 1/20 0.39

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
SCHEMBL25252107 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL29497016 0.88 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL20447205 0.88 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL3315879 0.87 KMT2A (0.49) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL31581706 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL31564673 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL4573275 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL4573265 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL8922383 0.73 ATM (0.43) SMN1; SMN2ALDH1A1HTTYAP1TEAD4
SCHEMBL26618380 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HTTKMT2ATDP1

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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 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 (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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R SMN1; SMN2 2226/4885ALDH1A1 4209/4885HTT 2097/4885

“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.