SCHEMBL1432654

SCHEMBL1432654

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.48
▸ MTNR1B P49286 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ESRRG P62508 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL16782155 0.88 MAPT (0.49) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2156595 0.84 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL8978503 0.84 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL1433076 0.80 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2156631 0.79 S100B (0.60) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL10412908 0.77 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL29387324 0.75 GFER (0.63) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL4843540 0.75 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1MAPTMEN1
SCHEMBL244238 0.75 GFER (0.63) MTNR1AMTNR1BALDH1A1TSHRMAPT
SCHEMBL1432306 0.74 AOC3 (0.74) MEN1KMT2AESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
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-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 — — EP 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
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 — — US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 — — WO disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 — — 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MTNR1A 2119/4885MTNR1B 1689/4885ALDH1A1 141/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MTNR1A 2119/4885MTNR1B 1689/4885ALDH1A1 141/4885

“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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