SCHEMBL4493633

SCHEMBL4493633

O=C(O)c1c(F)ccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
SRD5A2 P31213 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CAT P04040 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CRHBP P24387 1/20 0.39
RECQL P46063 1/20 0.39
CRHR2 Q13324 1/20 0.39
DHODH Q02127 1/20 0.38
AOC3 Q16853 1/20 0.38
CTNNB1 P35222 2/20 0.37

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
SCHEMBL29054677 0.86 KDM4E (0.44) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL30507841 0.86 KDM4E (0.44) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL30507834 0.83 NPC1 (0.43) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL29054687 0.83 NPC1 (0.43) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL30843242 0.80 RAB9A (0.46) NPC1RAB9ATP53SMN1; SMN2HTT
SCHEMBL30843235 0.80 KDM4E (0.43) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL4489374 0.80 KDM4E (0.43) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL9489186 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1SRD5A2NPC1RAB9A
SCHEMBL423788 0.79 AOC3 (0.49) ALDH1A1MAPK1SRD5A2NPC1RAB9A
SCHEMBL6996541 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232595-B Diaminotriazine compounds as herbicides 巴斯夫欧洲公司 2020-01-14 CN disclosed
EP-3134400-B1 DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES BASF SE (DE) 2018-10-17 EP disclosed
US-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
EP-3134400-A1 DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 US disclosed
WO-2015162169-A1 DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES BASF SE (DE) 2015-10-29 WO disclosed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 ALDH1A1 3215/4885MAPK1 67/4885SRD5A2 4704/4885
US-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 ALDH1A1 647/4885MAPK1 2794/4885SRD5A2 633/4885

“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.