SCHEMBL4262113

SCHEMBL4262113

Cc1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc(N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.51
GBA1 P04062 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PABPC1 P11940 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
LTA4H P09960 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 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
SCHEMBL4262116 1.00 NOX1 (0.51) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL5669890 0.89 NOX1 (0.50) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL4262302 0.79 NPC1 (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4262298 0.79 NPC1 (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6877520 0.79 NOX1 (0.51) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL6877517 0.79 NOX1 (0.51) NOX1GBA1MEN1KMT2APABPC1
SCHEMBL4263695 0.78 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4263684 0.78 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4260723 0.78 LMNA (0.43) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4260719 0.78 LMNA (0.43) MEN1KMT2ARAB9ANPC1ALDH1A1

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 NOX1 2517/4885GBA1 1703/4885MEN1 2494/4885

“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.