SCHEMBL12378826

SCHEMBL12378826

CC(=O)COc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.54
MAOB P27338 1/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

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
SCHEMBL2955123 0.89 HPGD (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8127138 0.83 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTMAOB
SCHEMBL12451865 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL653251 0.81 ALOX15 (0.65) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8234368 0.81 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTMAOB
SCHEMBL9320698 0.81 LTA4H (0.50) ALDH1A1MAPT
SCHEMBL10858118 0.81 LMNA (0.58) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4115419 0.80 PTGS2 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL24261132 0.79 HPGD (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL12909782 0.79 L3MBTL1 (0.68) ALDH1A1MAPTPOLBMAOBSMN1; SMN2

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
WO-2023134751-A1 TUBULIN-SRC DUAL-TARGET INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-07-20 WO disclosed
CN-116444426-A tubulin-Src dual-target inhibitors and uses thereof 武汉人福创新药物研发中心有限公司 2023-07-18 CN disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP 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
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO 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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 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-7691493-B2 Polymeric compound and organic luminescence device CANON KABUSHIKI KAISHA (JP) 2010-04-06 US disclosed
US-7691493-B2 Polymeric compound and organic luminescence device CANON KABUSHIKI KAISHA (JP) 2010-04-06 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 US disclosed
US-20070257604-A1 POLYMERIC COMPOUND AND ORGANIC LUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-08 US disclosed
US-20070257604-A1 POLYMERIC COMPOUND AND ORGANIC LUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-08 US disclosed
US-7238435-B2 Polymeric compound and organic luminescence device CANON KABUSHIKI KAISHA (JP) 2007-07-03 US disclosed
US-7238435-B2 Polymeric compound and organic luminescence device CANON KABUSHIKI KAISHA (JP) 2007-07-03 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 (4 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT ALDH1A1 1419/4885MEN1 1922/4885KMT2A 1628/4885
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ALDH1A1 141/4885MEN1 4322/4885KMT2A 2805/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ALDH1A1 141/4885MEN1 4322/4885KMT2A 2805/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 ALDH1A1 517/4885MEN1 3264/4885KMT2A 357/4885

“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.