SCHEMBL2409306

SCHEMBL2409306

CCC(=O)c1cccnc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.61
P2RX7 Q99572 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7455572 0.83 NAPRT (0.63) NAPRTP2RX7LMNANPC1POLB
SCHEMBL3962348 0.81 NAPRT (0.61) NAPRTP2RX7LMNACTNNB1WNT3A
SCHEMBL3432130 0.81 NAPRT (0.61) NAPRTP2RX7LMNACTNNB1WNT3A
Bromide SCHEMBL4126411 0.80 NAPRT (0.59) NAPRTP2RX7LMNACTNNB1WNT3A
SCHEMBL13623669 0.79 PDK2 (0.44) NAPRTP2RX7LMNANPC1CTNNB1
SCHEMBL2632669 0.79 P2RX7 (0.61) NAPRTP2RX7LMNAPOLBCTNNB1
SCHEMBL13545133 0.79 P2RX7 (0.43) NAPRTP2RX7LMNANPC1CTNNB1
SCHEMBL616430 0.79 NAPRT (0.50) NAPRTP2RX7LMNANPC1POLB
SCHEMBL2572955 0.79 NAPRT (0.58) NAPRTALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1811012 0.79 NAPRT (0.68) NAPRTP2RX7LMNANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114204106-B Electrolyte additive for lithium ion battery, electrolyte and lithium ion battery 松山湖材料实验室 2023-10-20 CN claimed
CN-114204106-A Lithium ion battery electrolyte additive, electrolyte and lithium ion battery 松山湖材料实验室 2022-03-18 CN claimed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
CN-114204106-B Electrolyte additive for lithium ion battery, electrolyte and lithium ion battery 松山湖材料实验室 2023-10-20 CN disclosed
CN-114204106-A Lithium ion battery electrolyte additive, electrolyte and lithium ion battery 松山湖材料实验室 2022-03-18 CN disclosed
US-20170119766-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2017-05-04 US disclosed
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
WO-2007103295-A2 HALOGENATED SULFONAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2007-09-13 WO disclosed
US-20070213376-A1 Halogenated sulfonamide derivatives H. LUNDBECK A/S (DK) 2007-09-13 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 (5 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-20070213376-A1 Halogenated sulfonamide derivatives NPY5R, NPY2R, SSTR5 NAPRT 2817/4885P2RX7 274/4885LMNA 4530/4885
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A NAPRT 2617/4885P2RX7 3596/4885LMNA 3758/4885
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 NAPRT 369/4885P2RX7 756/4885LMNA 4259/4885
US-20170119766-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAPRT 406/4885P2RX7 178/4885LMNA 4006/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS NAPRT 694/4885P2RX7 4811/4885LMNA 4027/4885

“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.