SCHEMBL22658073

SCHEMBL22658073

O=C(O)c1cnc(-c2ccc(OC(F)F)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
ALKBH1 Q13686 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
ALOX15 P16050 1/20 0.46
GFER P55789 1/20 0.46
ADAM17 P78536 1/20 0.46
XDH P47989 4/20 0.45
ATM Q13315 1/20 0.44
DRD1 P21728 1/20 0.44
PTGER4 P35408 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TEAD4 Q15561 1/20 0.41
GRM2 Q14416 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29049636 0.80 XDH (0.56) ALOX15XDHKMT2AALDH1A1MEN1
SCHEMBL29408191 0.79 ALDH1A1 (0.65) HDAC4ALKBH1MRGPRX4ALOX15GFER
SCHEMBL22678610 0.79 ALDH1A1 (0.65) HDAC4ALKBH1MRGPRX4ALOX15GFER
SCHEMBL1018588 0.79 KMT2A (0.64) MRGPRX4ALOX15GFERADAM17ATM
SCHEMBL3221628 0.78 CA1 (0.60) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9060542 0.78 RXRA (0.45) HDAC4ALOX15GFERADAM17DRD1
SCHEMBL4460071 0.77 LDHA (0.51) HDAC4ALKBH1MRGPRX4ALOX15GFER
SCHEMBL18987986 0.77 HPGDS (0.56) MRGPRX4
Hydrochloric Acid SCHEMBL9015381 0.77 KMT2A (0.62) MRGPRX4ALOX15GFERADAM17ATM
SCHEMBL9062264 0.77 DRD1 (0.46) HDAC4ALOX15GFERADAM17DRD1

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-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO INC (US) 2026-03-26 US disclosed
US-12441689-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2025-10-14 US disclosed
US-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-03-16 US disclosed
EP-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 EP disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230134-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-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 HDAC4 191/4885ALKBH1 1217/4885MRGPRX4 2569/4885
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ACSL3 HDAC4 228/4885ALKBH1 993/4885MRGPRX4 1726/4885
US-12441689-B2 ACSS2 inhibitors and methods of use thereof ACSS2, ADSS2, GLS2 HDAC4 191/4885ALKBH1 1217/4885MRGPRX4 2569/4885

“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.