SCHEMBL18804718

SCHEMBL18804718

CC(=O)C(Cc1cnc[nH]1)NBC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.44
▸ ICAM1 P05362 3/20 0.44
▸ ITGAL P20701 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ QPCT Q16769 1/20 0.43
▸ QPCTL Q9NXS2 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 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
SCHEMBL18804741 0.87 HTR1D (0.43) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL12829313 0.82 CYP3A4 (0.48) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL15119370 0.80 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL13979576 0.80 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1641647 0.80 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL17697368 0.79 CYP3A4 (0.54) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL15080457 0.79 REN (0.54) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18748750 0.77 CYP3A4 (0.49) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL19484763 0.77 HIF1A (0.38) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL12323344 0.76 HRH4 (0.49) ITGB2ICAM1ITGALCYP3A4SLC7A5

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-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME FUJIFILM CORPORATION (JP) 2017-05-04 — — 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-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME NPC1L1, LETM1, STOML2 ITGB2 1022/4885ICAM1 858/4885ITGAL 934/4885

“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.

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