SCHEMBL3045824

SCHEMBL3045824

CC(C)(C(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
PTPN1 P18031 3/20 0.45
PTPRC P08575 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.42
GPBAR1 Q8TDU6 1/20 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
SCHEMBL15910890 0.88 LMNA (0.54) ALDH1A1KMT2ASMN1; SMN2PTPN1PTPRC
SCHEMBL26086091 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL228601 0.85 NR4A2 (0.51) ALDH1A1KMT2AHPGDPTPN1PTPRC
SCHEMBL23876180 0.85 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1PTPN1
SCHEMBL23876186 0.85 NPC1 (0.49) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL13313606 0.84 MAOB (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL24773109 0.82 POLB (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL11625164 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1PTPN1
SCHEMBL16196492 0.81 SMN1; SMN2 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL3379309 0.80 SMN1; SMN2 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR ALDH1A1 61/4885KMT2A 3053/4885SMN1; SMN2 2217/4885

“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.