SCHEMBL2068510

SCHEMBL2068510

CCN(CCN(C(=O)O)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL2574637 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL2067907 0.75 ALDH1A1 (0.39) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL2575721 0.75 TAAR1 (0.50) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL16782155 0.73 MAPT (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1684422 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL3345334 0.73 ALDH1A1 (0.51) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL8686227 0.72 ALDH1A1 (0.46) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1432466 0.71 ALDH1A1 (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL381900 0.71 ALDH1A1 (0.58) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20787870 0.71 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1POLB

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-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 — — 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-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MEN1 4322/4885KMT2A 2805/4885MAPT 1522/4885

“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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