SCHEMBL16838833

SCHEMBL16838833

COc1ccc(COc2ccc(C)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.56
▸ MAOB P27338 2/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ AGXT P21549 1/20 0.48
▸ FFAR1 O14842 1/20 0.47

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
SCHEMBL18633336 0.84 MAOB (0.54) APPMAOB
SCHEMBL228033 0.84 P4HTM (0.58) MAOBRAB9ASMN1; SMN2
SCHEMBL5183487 0.82 APP (0.56) APPMAOBNPC1RAB9APOLB
SCHEMBL16846466 0.82 APP (0.66) APPMAOBNPC1RAB9APOLB
SCHEMBL15633170 0.81 APP (0.54) APPMAOBNPC1RAB9APOLB
SCHEMBL1259197 0.81 NPC1 (0.55) APPMAOBNPC1RAB9APOLB
SCHEMBL1258945 0.81 APP (0.59) APPMAOBNPC1RAB9APOLB
SCHEMBL20000873 0.80 APP (0.80) APPMAOBNPC1RAB9APOLB
SCHEMBL435691 0.80 — —
SCHEMBL9545812 0.80 TDP1 (0.49) RAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 — — EP disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 — — CN disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 — — EP disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 — — WO disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 — — WO disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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 (2 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 APP 4505/4885MAOB 412/4885NPC1 3447/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI APP 1817/4885MAOB 830/4885NPC1 1211/4885

“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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