SCHEMBL21112612

SCHEMBL21112612

CC(C)(C)CC(NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ANO1 Q5XXA6 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CTSL P07711 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
SCHEMBL21112607 1.00 HDAC1 (0.45) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29640240 0.89 HDAC1 (0.41) HDAC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21112129 0.86 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21112128 0.86 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21112557 0.85 PLAU (0.41) HDAC1MEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL21112560 0.85 PLAU (0.41) HDAC1MEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL21112599 0.84 MEN1 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21112173 0.84 CTSS (0.39) MEN1KMT2ASMN1; SMN2MGLLCTSL
SCHEMBL21112174 0.84 CTSS (0.39) MEN1KMT2ASMN1; SMN2MGLLCTSL
SCHEMBL21112602 0.84 MEN1 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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 (4 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN HDAC1 79/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC1 79/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC1 79/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN HDAC1 128/4885MEN1 463/4885KMT2A 1129/4885

“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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