SCHEMBL4128400

SCHEMBL4128400

Fc1ccccc1[CH]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.50
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ARG2 P78540 1/20 0.36

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
SCHEMBL5184459 0.84 NFE2L2 (0.53) NFE2L2
SCHEMBL10448958 0.83 TAAR1 (0.47) NFE2L2MAOBTDP1
SCHEMBL8112257 0.78 NFE2L2 (0.50) NFE2L2
SCHEMBL23457275 0.75 NFE2L2 (0.56) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3713124 0.75 NFE2L2 (0.56) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15941726 0.74 TRPA1 (0.47) NFE2L2MAOBTDP1CA1CA2
SCHEMBL9355230 0.74 ALDH1A1 (0.46) MAOBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9355554 0.74 MAOB (0.46) MAOBTDP1CA1CA2ARG2
SCHEMBL1759710 0.73 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10928052 0.72 NFE2L2 (0.43) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-0687686-B1 AUREOBASIDINS TAKARA SHUZO CO (JP) 2000-08-30 EP claimed
US-5200417-A Administering to inhibait gastric acid secretion in mammals SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1993-04-06 US claimed
CN-113924294-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-11 CN disclosed
EP-0687686-B1 AUREOBASIDINS TAKARA SHUZO CO (JP) 2000-08-30 EP disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5703017-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
CN-1121711-A 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation BASF AG (DE) 1996-05-01 CN 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 NFE2L2 3296/4885MAOB 713/4885TDP1 362/4885

“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.