SCHEMBL299182

SCHEMBL299182

Cc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
P2RX7 Q99572 2/20 0.38
DAO P14920 1/20 0.38
PDE2A O00408 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD11B1 P28845 1/20 0.37
ACHE P22303 2/20 0.36
TRPA1 O75762 1/20 0.36
MCL1 Q07820 1/20 0.36
KIF11 P52732 4/20 0.35
CYP11B2 P19099 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL10035077 0.84 HDAC6 (0.40) IDO1P2RX7PDE2AHDAC3HDAC1
SCHEMBL29561309 0.81 IDO1 (0.46) IDO1P2RX7HSD11B1ACHETRPA1
SCHEMBL9607555 0.81 HDAC6 (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL172998 0.81 IDO1 (0.46) IDO1P2RX7HSD11B1ACHETRPA1
SCHEMBL1538943 0.78 PDE2A (0.56) DAOPDE2AKIF11
SCHEMBL144686 0.78 TP53 (0.42) DAOPDE2AHSD11B1KIF11CYP11B2
SCHEMBL21782467 0.77 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC6ACHE
SCHEMBL21916381 0.77 HDAC6 (0.39) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL7601736 0.77 IDO1 (0.50) IDO1TRPA1KIF11CYP11B2
SCHEMBL26375372 0.77 KIF11 (0.42) KIF11CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803210-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN claimed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 WO disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP disclosed
WO-2021236717-A1 FUSED IMIDAZOLE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2021-11-25 WO disclosed
US-7157440-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-02 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
WO-2006044454-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-04-27 WO disclosed
US-6946449-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
JP-2005139166-A METHOD FOR PRODUCING 4-TRIFLUOROMETHYL-3-METHYLFLUOROBENZENE CENTRAL GLASS CO LTD 2005-06-02 JP disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20050020532-A1 Partial and full agonists of A1 adenosine receptors GILEAD PALO ALTO, INC. 2005-01-27 US disclosed
WO-2004007519-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-01-22 WO disclosed
US-20030050275-A1 Partial and full agonists of A1 adenosine receptors GILEAD PALO ALTO, INC. 2003-03-13 US disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 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 (4 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-20030050275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 IDO1 1748/4885P2RX7 38/4885DAO 946/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 IDO1 3050/4885P2RX7 3232/4885DAO 2480/4885
US-20050020532-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 IDO1 1914/4885P2RX7 39/4885DAO 938/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 IDO1 2820/4885P2RX7 4598/4885DAO 3310/4885

“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.