SCHEMBL19140752

SCHEMBL19140752

COC(=O)c1c2c(n(C)c1I)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 9/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ TLR2 O60603 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL19140899 0.83 MAPK1 (0.51) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19320720 0.81 CRHBP (0.37) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31514466 0.73 USP2 (0.48) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15199376 0.70 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14576530 0.69 MAPK1 (0.40) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL24592591 0.69 USP2 (0.45) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL23379153 0.67 USP2 (0.44) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19140507 0.67 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL19141162 0.67 USP2 (0.59) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL21626290 0.66 ALDH1A1 (0.48) MAPK1ALDH1A1KDM4EHSD17B10HPGD

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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 — — US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 — — EP 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 MAPK1 2703/4885ALDH1A1 4195/4885KDM4E 1195/4885

“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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