SCHEMBL21570089

SCHEMBL21570089

CC[C@@]1(O)C(=O)NCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.73
▸ KDM4E B2RXH2 3/20 0.73
▸ RECQL P46063 2/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ POLB P06746 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ RAB9A P51151 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ GLA P06280 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ABCC3 O15438 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ABCC2 Q92887 1/20 0.56
▸ NPC1 O15118 1/20 0.54

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
SCHEMBL26843370 0.87 TOP1 (0.77) TOP1KDM4ERECQLTDP1POLB
SCHEMBL17779637 0.87 TOP1 (0.71) TOP1KDM4ERECQLTDP1RAB9A
SCHEMBL17779639 0.86 TOP1 (0.76) TOP1KDM4ERECQLTDP1POLB
9-Aminocamptothecin SCHEMBL29369669 0.84 TOP1 (1.00) TOP1KDM4ERECQLTDP1POLB
9-Aminocamptothecin SCHEMBL26578 0.84 TOP1 (1.00) TOP1KDM4ERECQLTDP1POLB
Rs-9-Aminocamptothecin SCHEMBL8715088 0.84 TOP1 (1.00) TOP1KDM4ERECQLTDP1POLB
SCHEMBL25932523 0.83 TOP1 (0.84) TOP1KDM4ERECQLTDP1POLB
SCHEMBL21841852 0.81 TOP1 (0.75) TOP1KDM4ERECQLTDP1POLB
Rs-9-Aminocamptothecin SCHEMBL27705522 0.81 TOP1 (0.92) TOP1KDM4ERECQLTDP1POLB
SCHEMBL20365198 0.79 MEN1 (0.60) TOP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000860-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2022-01-06 — — US claimed
US-11116762-B2 Compounds, compositions, and methods for treating human immunodeficiency virus OYAGEN, INC. (US) 2021-09-14 — — US claimed
US-20190350925-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2019-11-21 — — US claimed
US-20220000860-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2022-01-06 — — US disclosed
US-20220000860-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2022-01-06 — — US disclosed
US-11116762-B2 Compounds, compositions, and methods for treating human immunodeficiency virus OYAGEN, INC. (US) 2021-09-14 — — US disclosed
US-11116762-B2 Compounds, compositions, and methods for treating human immunodeficiency virus OYAGEN, INC. (US) 2021-09-14 — — US disclosed
US-20190350925-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2019-11-21 — — US disclosed
US-20190350925-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS OYAGEN, INC. (US) 2019-11-21 — — 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 (3 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-20190350925-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS HAVCR2, TTPA, CD4 TOP1 338/4885KDM4E 4100/4885RECQL 276/4885
US-11116762-B2 Compounds, compositions, and methods for treating human immunodeficiency virus HAVCR2, TTPA, CD4 TOP1 338/4885KDM4E 4100/4885RECQL 276/4885
US-20220000860-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING HUMAN IMMUNODEFICIENCY VIRUS HAVCR2, TTPA, CD4 TOP1 338/4885KDM4E 4100/4885RECQL 276/4885

“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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