SCHEMBL4518626

SCHEMBL4518626

CC(C)(C)ON(C=O)Cc1cccc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CYP19A1 P11511 1/20 0.37
ABHD6 Q9BV23 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 3/20 0.33
TP53 P04637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
AOC3 Q16853 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL4526988 0.86 MAOA (0.42) MAOBMAOACYP19A1ABHD6SIGMAR1
SCHEMBL5663890 0.85 LOXL2 (0.38) RIPK1CYP3A4ALDH1A1MRGPRX4AOC3
SCHEMBL7662463 0.82 S1PR1 (0.39) MAOBRIPK1
SCHEMBL643420 0.81 MAPT (0.38) CYP19A1CYP3A4ALDH1A1
SCHEMBL7763429 0.81 MEN1 (0.41) RIPK1CA9ALDH1A1RECQLAOC3
SCHEMBL3865771 0.79 ENPP2 (0.44) RIPK1
SCHEMBL11503179 0.79 CYP1A2 (0.45) RIPK1ALDH1A1
SCHEMBL5604152 0.79 MEP1B (0.46) TP53MRGPRX4
SCHEMBL28661360 0.79 PRKCI (0.36) ACHE
SCHEMBL5662615 0.78 LOXL2 (0.35) MAOBCA1CA2CA9

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
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
EP-4210762-A1 DRUG CONJUGATES AND USES THEREOF Supertrans Medical Ltd (IL) 2023-07-19 EP disclosed
WO-2022054057-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2022-03-17 WO disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HSD11B1 3156/4885MAOB 2654/4885MAOA 2774/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 HSD11B1 3909/4885MAOB 2140/4885MAOA 1985/4885

“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.