SCHEMBL4260723

SCHEMBL4260723

CCOc1ccccc1NC(=O)NC1CCC(Nc2cc(N(C)C)nc(C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 6/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR3 P51677 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4260719 1.00 LMNA (0.43) LMNAALDH1A1ALOX12KMT2AGLA
SCHEMBL6872979 0.82 POLB (0.44) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL6872973 0.82 POLB (0.44) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL6877186 0.81 KMT2A (0.46) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL6877173 0.81 KMT2A (0.46) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL4262747 0.80 MCHR1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL4262735 0.80 MCHR1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL6874808 0.78 MCHR1 (0.51) LMNAALDH1A1ALOX12KMT2AGLA
SCHEMBL6874820 0.78 MCHR1 (0.51) LMNAALDH1A1ALOX12KMT2AGLA
SCHEMBL4262116 0.78 NOX1 (0.51) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 LMNA 2888/4885ALDH1A1 765/4885ALOX12 1104/4885

“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.