SCHEMBL5308184

SCHEMBL5308184

CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 1.00
▸ ALDH1A1 P00352 6/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HPGD P15428 4/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ KDM4E B2RXH2 3/20 0.86
▸ SMN1; SMN2 Q16637 3/20 0.86
▸ TDP1 Q9NUW8 1/20 0.86
▸ POLB P06746 1/20 0.80
▸ GAA P10253 2/20 0.74
▸ NPSR1 Q6W5P4 2/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ TP53 P04637 1/20 0.71
▸ NMT1 P30419 4/20 0.59
▸ NMT2 O60551 1/20 0.59
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ RAD52 P43351 1/20 0.58
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL23575411 0.88 MAPT (0.78) MAPTALDH1A1LMNAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL11242122 0.86 MAPT (0.75) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL3788133 0.85 MAPT (0.74) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL13692557 0.84 MAPT (0.81) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL4749614 0.84 MAPT (0.72) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL23575202 0.81 MAPT (0.72) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL13692624 0.80 MAPT (0.77) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL23575157 0.80 MAPT (0.71) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL10673454 0.80 MAPT (0.66) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL13692620 0.79 MAPT (0.74) MAPTALDH1A1LMNAHPGDL3MBTL1

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 — — US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 — — WO claimed
US-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION DREXEL UNIVERSITY (US) 2010-03-25 — — US disclosed
US-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION DREXEL UNIVERSITY (US) 2010-03-25 — — US disclosed
WO-2007005541-A2 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2007-01-11 — — 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 (1 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-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION MAVS, ZC3HAV1, KDM4E MAPT 910/4885ALDH1A1 4768/4885LMNA 2265/4885

“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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