SCHEMBL22658701

SCHEMBL22658701

CCC(F)(F)c1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
ASIC3 Q9UHC3 1/20 0.35
P2RX7 Q99572 1/20 0.35
IDH1 O75874 2/20 0.35
MCHR1 Q99705 8/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM4 Q14833 1/20 0.32
BRS3 P32247 1/20 0.32
NCF1 P14598 1/20 0.31

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
SCHEMBL29433487 1.00 NOS3 (0.43) NOS3NOS2ASIC3P2RX7IDH1
SCHEMBL12817883 0.80 NOS3 (0.43) NOS3NOS2P2RX7PGK1PGK2
SCHEMBL19413042 0.80 NOS3 (0.43) NOS3NOS2ASIC3IDH1MCHR1
SCHEMBL22828437 0.79 NOS3 (0.46) NOS3NOS2ASIC3P2RX7IDH1
SCHEMBL181081 0.79 P2RX7 (0.47) NOS3NOS2ASIC3P2RX7IDH1
SCHEMBL30531687 0.79 P2RX7 (0.47) NOS3NOS2ASIC3P2RX7IDH1
SCHEMBL13331786 0.78 PGK1 (0.36) P2RX7IDH1PGK1PGK2
Hydrochloric Acid SCHEMBL23649640 0.78 NOS3 (0.45) NOS3NOS2ASIC3P2RX7IDH1
SCHEMBL28670884 0.75 NOS3 (0.35) NOS3NOS2ASIC3P2RX7MCHR1
SCHEMBL22545208 0.74 NOS3 (0.42) NOS3NOS2ASIC3P2RX7IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2022-09-29 US disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 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 (3 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 NOS3 1361/4885NOS2 1735/4885ASIC3 985/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 NOS3 1361/4885NOS2 1735/4885ASIC3 985/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 NOS3 1361/4885NOS2 1735/4885ASIC3 985/4885

“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.