SCHEMBL4472902

SCHEMBL4472902

COc1ccc(-n2c(C)cc3ccccc3c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
METAP2 P50579 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
G6PD P11413 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL4469971 0.83 ALDH1A1 (0.51) LMNAMAPTALDH1A1NPSR1MEN1
SCHEMBL75134 0.78 CYP19A1 (0.52) LMNAMAPTALDH1A1RAB9ANPSR1
SCHEMBL16596826 0.78 CA1 (0.49) LMNAMAPTALDH1A1NPSR1MEN1
SCHEMBL12639215 0.76 LMNA (0.73) LMNAMAPTALDH1A1RAB9ANPSR1
SCHEMBL29154649 0.75 ALDH1A1 (0.76) LMNAMAPTALDH1A1RAB9ANPSR1
SCHEMBL4470017 0.75 HRH3 (0.70)
SCHEMBL4472463 0.75 HRH3 (0.70)
SCHEMBL14158326 0.75 ALDH1A1 (0.55) LMNAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL2111778 0.74 MAPT (0.81) LMNAMAPTALDH1A1RAB9ANPSR1
SCHEMBL31277481 0.73 ALDH1A1 (0.95) LMNAMAPTALDH1A1RAB9ANPSR1

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
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 LMNA 4856/4885MAPT 3669/4885ALDH1A1 1717/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 LMNA 4856/4885MAPT 3669/4885ALDH1A1 1717/4885

“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.