SCHEMBL16006554

SCHEMBL16006554

O=C1NC2(CC2)c2ccc(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
EGFR P00533 2/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
UGT1A1 P22309 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP2 O95551 3/20 0.38
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 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
SCHEMBL30900443 0.82 TGM2 (0.49) CA1CA2CA7CA9TDP2
SCHEMBL29226241 0.82 TGM2 (0.49) CA1CA2CA7CA9TDP2
SCHEMBL8221967 0.80 PARP10 (0.46) MAOAMAOBCA1CA2CA7
SCHEMBL30095473 0.79 CA9 (0.39) CA9TDP2ALDH1A1LMNACYP3A4
SCHEMBL14992095 0.79 PARP1 (0.45) CA1CA2CA7CA9TDP2
SCHEMBL22898415 0.79 CA9 (0.39) CA9TDP2ALDH1A1LMNACYP3A4
SCHEMBL12459166 0.75 ALDH1A1 (0.41) CA1CA9TDP2ALDH1A1
SCHEMBL17695142 0.75 HPGD (0.57) EGFRMAPTALDH1A1LMNACYP3A4
SCHEMBL12523426 0.75 SMN1; SMN2 (0.41) MAPTALDH1A1LMNA
SCHEMBL28899201 0.73 CYP3A4 (0.54) EGFRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140296266-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-02 US disclosed
US-20140296266-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-02 US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 WO 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-20140296266-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PBRM1 2983/4885EGFR 3140/4885MAOA 1656/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PBRM1 2985/4885EGFR 3262/4885MAOA 1589/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PBRM1 2985/4885EGFR 3262/4885MAOA 1589/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PBRM1 2983/4885EGFR 3140/4885MAOA 1656/4885

“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.