SCHEMBL1432076

SCHEMBL1432076

CC(=O)Nc1ccc(C#Cc2ccc(CC(=O)NN)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
KMT2A Q03164 3/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
CYP2C19 P33261 1/20 0.65
NLRP3 Q96P20 1/20 0.50
AOC3 Q16853 2/20 0.47
MAPK1 P28482 1/20 0.46
AOC2 O75106 2/20 0.46
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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 SCHEMBL2069541 0.99 SMN1; SMN2 (0.63) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
Tert-Butyl Formate SCHEMBL27809024 0.89 KMT2A (0.51) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL1432559 0.87 NLRP3 (0.53) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL1432693 0.86 AOC3 (0.61) SMN1; SMN2NLRP3AOC3MAPK1AOC2
Hydrochloric Acid SCHEMBL1432557 0.86 NLRP3 (0.52) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
Hydrochloric Acid SCHEMBL1432607 0.85 KMT2A (0.47) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL16622212 0.85 KMT2A (0.69) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
Hydrochloric Acid SCHEMBL1432744 0.85 AOC3 (0.60) SMN1; SMN2NLRP3AOC3MAPK1AOC2
SCHEMBL1432853 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL1432754 0.83 MEN1 (0.61) SMN1; SMN2KMT2ARAB9AMEN1KDM4E

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 20 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
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO 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
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-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
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 SMN1; SMN2 2008/4885KMT2A 2805/4885RAB9A 2345/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 SMN1; SMN2 2008/4885KMT2A 2805/4885RAB9A 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.