SCHEMBL22670291

SCHEMBL22670291

CCC(F)(F)c1ccnc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.63
NOS2 P35228 6/20 0.63
NOS1 P29475 4/20 0.48
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36

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
SCHEMBL29433371 1.00 NOS3 (0.63) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL18879382 0.81 NOS3 (0.57) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL18922136 0.79 NOS3 (0.55) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL27144506 0.79 LOXL2 (0.41) NOS3NOS2LOXL2IGF1RS1PR1
SCHEMBL14637261 0.79 NOS3 (0.70) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL29432593 0.78 NOS3 (1.00) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL59927 0.78 NOS3 (1.00) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL13736855 0.77 LOXL2 (0.40) NOS3NOS2NOS1KDM4ELOXL2
Bromide SCHEMBL5756062 0.76 NOS3 (0.96) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL31372470 0.76 NOS3 (0.96) NOS3NOS2NOS1KDM4EMEN1

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 5 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
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

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 1735/4885NOS1 1561/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 NOS3 1361/4885NOS2 1735/4885NOS1 1561/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 NOS3 1361/4885NOS2 1735/4885NOS1 1561/4885

“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.