SCHEMBL4065279

SCHEMBL4065279

CCN(C(=O)c1ccccc1C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.69
TSHR P16473 4/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.50
LMNA P02545 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
SCHEMBL530129 0.87 TP53 (0.53) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL6570853 0.85 KMT2A (0.51) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL3486247 0.84 TP53 (0.71) TP53TSHRALDH1A1GLAKMT2A
SCHEMBL4301694 0.84 GAA (0.56) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL5482146 0.83 KMT2A (0.67) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL16463067 0.83 TP53 (0.52) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL18275347 0.82 KMT2A (0.56) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL18275268 0.82 KMT2A (0.63) TP53TSHRALDH1A1GLAMAPK1
SCHEMBL2183787 0.81 TP53 (1.00) TP53TSHRALDH1A1GLAKMT2A
SCHEMBL3454955 0.81 TP53 (0.67) TP53TSHRALDH1A1GLAKMT2A

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-0287421-B1 PROCESS FOR THE CYCLIC PRODUCTION OF HYDROGEN PEROXIDE ELF ATOCHEM S.A. (FR) 1991-06-05 EP claimed
EP-2673048-B1 TREATMENT OF BIPOLAR DISORDER ISIS INNOVATION (GB) 2016-01-13 EP disclosed
US-8901158-B2 Treatment of bipolar disorder ISIS INNOVATION LTD. (GB) 2014-12-02 US disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH TP53 1287/4885TSHR 1805/4885ALDH1A1 3943/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 TP53 4346/4885TSHR 319/4885ALDH1A1 765/4885

“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.