SCHEMBL1171802

SCHEMBL1171802

COc1ccc(Cn2nc(C)c3c([N+](=O)[O-])cccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.59
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CCR4 P51679 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1172483 0.87 DCTPP1 (0.55) DCTPP1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9941525 0.87 LMNA (0.47) DCTPP1CNR1CNR2KDM4ELMNA
SCHEMBL15312556 0.81 CSF1R (0.42) DCTPP1CYP3A4LMNATDP1ALDH1A1
SCHEMBL2051899 0.80 DCTPP1 (0.48) DCTPP1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15312682 0.80 DCTPP1 (0.42) DCTPP1RAB9AMAPTCYP3A4CYP2C9
SCHEMBL30630478 0.79 CNR2 (0.49) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL1172531 0.79 CYP1A2 (0.52) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL25248761 0.79 DCTPP1 (0.51) DCTPP1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2053158 0.79 CSF1R (0.48) DCTPP1NPC1SMN1; SMN2MAPTCNR1
SCHEMBL3287293 0.79 DCTPP1 (0.58) DCTPP1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 DCTPP1 706/4885NPC1 2858/4885RAB9A 1703/4885

“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.