SCHEMBL317700

SCHEMBL317700

O=C(ON1C(=O)CCC1=O)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KMT2A Q03164 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PARP1 P09874 1/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL14860981 0.89 MAPK1 (0.48) KMT2ATDP1ALDH1A1HPGDGAA
SCHEMBL4897945 0.83 CA12 (0.46) KMT2AESR1ESR2PARP1NPC1
SCHEMBL22625808 0.82 MAPK1 (0.41) KMT2AALDH1A1MAPK1
SCHEMBL11595533 0.81 MAPK1 (0.43) KMT2AALDH1A1HPGDGAAMAPK1
SCHEMBL1696190 0.81 NPC1 (0.47) KMT2AESR1ESR2PARP1PKM
SCHEMBL13950373 0.81 MAPK1 (0.43) KMT2ARAB9AALDH1A1HPGDGAA
SCHEMBL317765 0.81 MAPK1 (0.43) KMT2AHDAC1ALDH1A1HPGDMAPK1
SCHEMBL1284517 0.81 TSHR (0.48) KMT2APARP1RAB9AALDH1A1GAA
SCHEMBL15305953 0.81 MAPK1 (0.43) KMT2ARAB9AALDH1A1HPGDGAA
SCHEMBL13569375 0.81 MAPK1 (0.43) KMT2AALDH1A1HPGDGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939948-B Novel quinazoline-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-05-17 CN disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 WO disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 WO disclosed
CN-112939948-A Novel quinazoline-containing compound, intermediate and application thereof 苏州长禾药业股份有限公司 2021-06-11 CN disclosed
US-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 US disclosed
US-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 US disclosed
US-8093405-B2 Formation of 18F and 19F fluoroarenes bearing reactive functionalities UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2012-01-10 US disclosed
EP-2310362-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES University Of Newcastle-Upon Tyne (GB) 2011-04-20 EP disclosed
WO-2009138763-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-11-19 WO disclosed
US-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-11-19 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 (1 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-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES RARB, RARG, RARA PLA2G7 4720/4885CES2 439/4885CES1 536/4885

“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.