SCHEMBL13415787

SCHEMBL13415787

CC1C(O)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ LOX P28300 1/20 0.41
▸ LOXL3 P58215 1/20 0.41
▸ LOXL4 Q96JB6 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ GSK3A P49840 2/20 0.37

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
SCHEMBL14446344 0.81 LOX (0.43) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL9616703 0.79 LOX (0.41) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL2784650 0.76 LMNA (0.40) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL9616973 0.76 LOX (0.39) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL19829483 0.76 LOX (0.39) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL8217266 0.72 LOX (0.36) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL30834844 0.70 POLB (0.35) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL13963799 0.70 ALDH1A1 (0.40) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL12900984 0.70 LMNA (0.50) LMNAPTGS1ABCB11LOXLOXL3
SCHEMBL11639145 0.70 LMNA (0.55) LMNAPTGS1ABCB11LOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 — — US disclosed
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 — — 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 (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-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency SERPINA2, SERPINB1, SERPINC1 LMNA 1085/4885PTGS1 610/4885ABCB11 710/4885

“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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