SCHEMBL1172483

SCHEMBL1172483

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 3/20 0.43
CCR4 P51679 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGER4 P35408 1/20 0.39
P2RX4 Q99571 1/20 0.38

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
SCHEMBL2051899 0.91 DCTPP1 (0.48) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL2053158 0.90 CSF1R (0.48) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL1171802 0.87 DCTPP1 (0.59) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL2048737 0.86 PLA2G2A (0.44) DCTPP1CNR1CNR2RAB9A
SCHEMBL3009404 0.82 DCTPP1 (0.50) DCTPP1SMN1; SMN2MAPTCNR1CNR2
SCHEMBL2051309 0.81 CSF1R (0.42) DCTPP1ALDH1A1
SCHEMBL17406695 0.81 CNR2 (0.49) DCTPP1SMN1; SMN2CNR1CNR2CCR4
SCHEMBL2052032 0.80 CSF1R (0.42) DCTPP1MAPTRAB9A
SCHEMBL30592410 0.80 CNR2 (0.48) SMN1; SMN2CNR1CNR2CCR4KDM4E
SCHEMBL26110001 0.80 CNR2 (0.48) SMN1; SMN2CNR1CNR2CCR4KDM4E

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 706/4885SMN1; SMN2 3091/4885MAPT 3778/4885

“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.