SCHEMBL2331553

SCHEMBL2331553

Oc1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
IL1B P01584 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TNF P01375 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
PLAU P00749 1/20 0.36
P2RX1 P51575 4/20 0.36
CES2 O00748 1/20 0.35
P2RX4 Q99571 2/20 0.35
P2RX7 Q99572 2/20 0.35
TMPRSS4 Q9NRS4 2/20 0.35
MEN1 O00255 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 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
SCHEMBL30530057 1.00 PDE2A (0.39) PDE2AIL1BALDH1A1TNFMAPT
SCHEMBL668872 0.84 PDE2A (0.41) PDE2AALDH1A1MAPTKDM4EPOLB
Fluoride Ion SCHEMBL10713269 0.79 PDE2A (0.38) PDE2AALDH1A1KDM4EPOLBRECQL
SCHEMBL1531168 0.77 PDE2A (0.37) PDE2AALDH1A1KDM4EPOLBPLAU
SCHEMBL30754268 0.77 KDM4E (0.39) PDE2AIL1BALDH1A1TNFMAPT
SCHEMBL22655210 0.77 KDM4E (0.39) PDE2AIL1BALDH1A1TNFMAPT
SCHEMBL5600053 0.77 ALDH1A1 (0.50) PDE2AALDH1A1MAPTKDM4EPOLB
SCHEMBL10262533 0.76 PDE2A (0.40) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL8773859 0.74 PDE2A (0.39) PDE2AALDH1A1MAPTKDM4EPOLB
SCHEMBL9339616 0.74 PTPN5 (0.41) PDE2AALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023160509-A1 AMIDINE DERIVATIVE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-08-31 WO disclosed
CN-116655497-A Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2023-08-29 CN disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
US-7405240-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-07-29 US disclosed
US-20080119560-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents ALLERGAN, INC. (US) 2008-03-06 US disclosed
US-7323591-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-01-29 US disclosed
CN-101102989-A Substituted cyclopentanes or cyclopentanones for the treatment of ocular hypertension ALLERGAN INC (US) 2008-01-09 CN disclosed
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS OLD DAVID W 2007-11-15 US disclosed
EP-1846354-A2 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES FOR THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS Allergan, Inc. (US) 2007-10-24 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2006076370-A2 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES FOR THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS ALLERGAN, INC. (US) 2006-07-20 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 (7 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-20080119560-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS PDE3A, PTGIR, PTGIS PDE2A 5/4885IL1B 4737/4885ALDH1A1 1187/4885
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents CYC1, HSPE1, CYP27A1 PDE2A 97/4885IL1B 3993/4885ALDH1A1 1689/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PDE2A 573/4885IL1B 4132/4885ALDH1A1 912/4885
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS HCCS, MCL1, NME4 PDE2A 345/4885IL1B 4589/4885ALDH1A1 2087/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PDE2A 444/4885IL1B 4002/4885ALDH1A1 1306/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PDE2A 1204/4885IL1B 4242/4885ALDH1A1 1503/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PDE2A 573/4885IL1B 4132/4885ALDH1A1 912/4885

“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.