SCHEMBL1432306

SCHEMBL1432306

CCN(CCNC(C)=O)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 9/20 0.74
▸ ESRRG P62508 2/20 0.45
▸ ESRRB O95718 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ RORC P51449 2/20 0.40
▸ AOC2 O75106 1/20 0.39

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
Hydrochloric Acid SCHEMBL1433231 0.99 AOC3 (0.72) AOC3ESRRGESRRBMEN1KMT2A
SCHEMBL2068299 0.86 AOC3 (0.84) AOC3ESRRGMEN1KMT2ACNR2
SCHEMBL1432499 0.86 AOC3 (1.00) AOC3ESRRGESRRBMEN1KMT2A
SCHEMBL1433287 0.85 AOC3 (1.00) AOC3ESRRGESRRBMEN1KMT2A
Hydrochloric Acid SCHEMBL2068836 0.85 AOC3 (0.82) AOC3ESRRGMEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL1432520 0.84 AOC3 (0.97) AOC3ESRRGESRRBMEN1KMT2A
Hydrochloric Acid SCHEMBL1433768 0.84 AOC3 (0.97) AOC3ESRRGESRRBMEN1KMT2A
SCHEMBL1432995 0.80 AOC3 (0.78) AOC3ESRRGCNR2RORCAOC2
Hydrochloric Acid SCHEMBL2068488 0.79 AOC3 (0.76) AOC3ESRRGCNR2RORCAOC2
SCHEMBL2156595 0.77 ALDH1A1 (0.55) AOC3ESRRGMEN1KMT2AKDM4E

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 15 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 claimed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP claimed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US claimed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 — — EP claimed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 — — US claimed
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
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

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 AOC3 438/4885ESRRG 4585/4885ESRRB 3178/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885ESRRG 4585/4885ESRRB 3178/4885

“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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