SCHEMBL21112570

SCHEMBL21112570

Cn1c(=O)ccc2cc([C@](N)(CC(C)(C)C)C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 10/20 0.47
▸ BRD4 O60885 3/20 0.38
▸ BRD9 Q9H8M2 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ BRD1 O95696 3/20 0.38
▸ BRPF3 Q9ULD4 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ ALOX5 P09917 3/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL21112574 1.00 BRPF1 (0.47) BRPF1BRD4BRD9CA12CA9
SCHEMBL21148933 0.84 BRPF1 (0.41) BRPF1BRD4BRD9CA12CA9
SCHEMBL20908218 0.84 BRPF1 (0.41) BRPF1BRD4BRD9CA12CA9
SCHEMBL21112831 0.75 EGLN1 (0.33) MEN1CYP1A2KMT2A
SCHEMBL21112828 0.75 EGLN1 (0.33) MEN1CYP1A2KMT2A
SCHEMBL762351 0.75 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL20900144 0.73 CA12 (0.43) CA12CA9MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL21112668 0.72 CA12 (0.42) CA12CA9MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL21112670 0.72 CA12 (0.42) CA12CA9MEN1CYP1A2KMT2A
Flucarbril SCHEMBL2109672 0.70 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9

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 BRPF1 3176/4885BRD4 1637/4885BRD9 3034/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN BRPF1 3176/4885BRD4 1637/4885BRD9 3034/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN BRPF1 3176/4885BRD4 1637/4885BRD9 3034/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN BRPF1 2515/4885BRD4 2157/4885BRD9 2969/4885

“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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