SCHEMBL465563

SCHEMBL465563

O=C(O)c1ccccc1-c1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALOX15 P16050 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NAPRT Q6XQN6 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DHODH Q02127 1/20 0.49
MYC P01106 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL17336670 0.92 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL9403683 0.85 CHRNB2 (0.54) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL31461065 0.83 NPC1 (0.67) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL3942454 0.83 RAB9A (0.57) KDM4EALDH1A1L3MBTL1ALOX15CYP3A4
SCHEMBL29480081 0.83 RAB9A (0.57) KDM4EALDH1A1L3MBTL1ALOX15CYP3A4
SCHEMBL3108743 0.82 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL435474 0.82 HNF4A (0.59) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL8102349 0.82 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL28455317 0.82 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL132995 0.82 CA12 (0.41) KDM4ETDP1ALDH1A1L3MBTL1ALOX15

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 882 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568016-B1 MICROCAPSULES COMPRISING CINMETHYLIN IN THE CORE AND A POLYUREA DERIVED FROM DIPHENYLMETHANE DIISOCYANATE OR AN OLIGOMER THEREOF BASF AGRO BV (NL) 2024-07-17 EP claimed
WO-2024012905-A1 HERBICIDAL COMPOSITION COMPRISING AZINE COMPOUNDS BASF SE (DE) 2024-01-18 WO claimed
EP-3957176-A1 METHOD FOR CONTROLLING HERBICIDE RESISTANT OR TOLERANT WEEDS, HERBICIDAL COMPOSITION AND METHOD FOR CONTROLLING UNDESIRABLE VEGETATION BASF Agro B.V. (NL) 2022-02-23 EP claimed
US-20210392896-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL LTD (IN) 2021-12-23 US claimed
EP-3809849-A1 METHOD FOR CONTROLLING HERBICIDE RESISTANT OR TOLERANT WEEDS BASF Agro B.V. (NL) 2021-04-28 EP claimed
EP-3809848-A1 HERBICIDAL COMBINATION BASF Agro B.V. (NL) 2021-04-28 EP claimed
EP-3664609-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL Ltd (IN) 2020-06-17 EP claimed
WO-2019243100-A1 HERBICIDAL COMBINATION BASF Agro B.V. (NL) 2019-12-26 WO claimed
WO-2019243101-A1 METHOD FOR CONTROLLING HERBICIDE RESISTANT OR TOLERANT WEEDS BASF SE (DE) 2019-12-26 WO claimed
WO-2019243104-A1 METHOD FOR CONTROLLING HERBICIDE RESISTANT OR TOLERANT WEEDS BASF Agro B.V. (NL) 2019-12-26 WO claimed
US-20150335016-A1 Herbicidal Composition Comprising a Cornexistin BASF SE (DE) 2015-11-26 US claimed
WO-2015162164-A1 HERBICIDAL COMBINATION COMPRISING AZINES BASF SE (DE) 2015-10-29 WO claimed
WO-2014102065-A1 HERBICIDAL COMPOSITION COMPRISING A CORNEXISTIN BASF SE (DE) 2014-07-03 WO claimed
WO-2011161131-A1 HERBICIDAL MIXTURES BASF SE (DE) 2011-12-29 WO claimed
WO-2010046419-A2 Use of acetolactate synthase inhibitors on cultivated plants BASF SE (DE) 2010-04-29 WO claimed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO claimed

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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 KDM4E 4561/4885TDP1 2093/4885ALDH1A1 1856/4885
US-20150335016-A1 Herbicidal Composition Comprising a Cornexistin DDT, CYP4X1, ACHE KDM4E 952/4885TDP1 1786/4885ALDH1A1 528/4885

“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.