SCHEMBL1433076

SCHEMBL1433076

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ FPR3 P25089 7/20 0.45
▸ FPR2 P25090 7/20 0.45
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8399559 0.86 MAPT (0.54) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL29066264 0.84 CKS1B (0.49) NPC1RAB9AFPR3FPR2MEN1
SCHEMBL15581649 0.82 MAPT (0.45) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL4893197 0.80 FNTA (0.45) MAPTNPC1RAB9AKDM4EFPR3
SCHEMBL16782155 0.80 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1432654 0.80 MTNR1A (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8747512 0.79 KMT2A (0.50) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL4894175 0.79 SSTR4 (0.45) FPR3FPR2
SCHEMBL23291328 0.77 ESRRG (0.51) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL4115223 0.77 FPR3 (0.46) NPC1RAB9AFPR3FPR2MEN1

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 11 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
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

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 MAPT 1522/4885NPC1 326/4885RAB9A 2345/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 MAPT 1522/4885NPC1 326/4885RAB9A 2345/4885

“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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