SCHEMBL317655

SCHEMBL317655

O=C(O)c1cccc(F)c1N1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.49
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
BCHE P06276 1/20 0.39
HPGD P15428 1/20 0.38
FABP3 P05413 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
FABP4 P15090 2/20 0.37
NOTUM Q6P988 2/20 0.36
KMT2A Q03164 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL317764 0.80 CA12 (0.42) CA12CA1CA9ALDH1A1ALOX15
SCHEMBL1832044 0.79 ALB (0.43) ALBCA12CA1CA9CES2
SCHEMBL317656 0.77 TTR (0.44) ALBCA12CA1CA9GAA
SCHEMBL4901236 0.76 TLR9 (0.49) CA12CA1CA9GAAALDH1A1
SCHEMBL334907 0.76 CA12 (0.39) CA12CA1CA9GAAHPGD
SCHEMBL6006263 0.75 TSHR (0.56) GAAHPGDALDH1A1KMT2A
SCHEMBL31716917 0.74 KMT2A (0.42) ALDH1A1KMT2A
SCHEMBL28755352 0.73 TLR9 (0.45) CA12CA1CA9GAAALDH1A1
SCHEMBL3678196 0.73 NPC1 (0.48) CA12CA1CA9HPGDALDH1A1
SCHEMBL30311470 0.72 ALB (0.47) ALBHPGDALDH1A1HTT

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 13 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
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
EP-1827239-B1 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD PURDUE RESEARCH FOUNDATION (US) 2019-04-17 EP disclosed
EP-2452695-A2 Positron emission tomography imaging method Purdue Research Foundation (US) 2012-05-16 EP 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
EP-1827239-A4 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD PURDUE RESEARCH FOUNDATION (US) 2009-07-22 EP disclosed
US-20070276231-A1 Positron Emission Tomography Imaging Method PURDUE RESEARCH FOUNDATION 2007-11-29 US disclosed
EP-1827239-A2 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD PURDUE RESEARCH FOUNDATION (US) 2007-09-05 EP disclosed
WO-2006071754-A2 POSITRON EMISSION TOMOGRAPHY IMAGING METHOD PURDUE RESEARCH FOUNDATION (US) 2006-07-06 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 (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 ALB 2282/4885CA12 316/4885CA1 638/4885

“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.