SCHEMBL22658157

SCHEMBL22658157

COc1c(Cc2ccccc2)cc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.44
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 0.43
▸ TUBB6 Q9BUF5 2/20 0.43
▸ TUBB2B Q9BVA1 2/20 0.43
▸ TUBB1 Q9H4B7 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL22658252 0.85 PTGS2 (0.45) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22658169 0.83 PTGS2 (0.43) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22658164 0.79 MAPT (0.47) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29408216 0.79 MAPT (0.47) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29408325 0.78 LMNA (0.45) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22658125 0.76 PDE4B (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22658124 0.76 PDE4B (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22678616 0.76 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2
SCHEMBL29408268 0.76 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2
SCHEMBL22678306 0.75 CNR2 (0.42) HTTGAACYP11B1CYP11B2CNR1

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 PTGS2 1038/4885TUBB4A 2958/4885TUBB 2314/4885
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ACSL3 PTGS2 1574/4885TUBB4A 3238/4885TUBB 2900/4885
US-12441689-B2 ACSS2 inhibitors and methods of use thereof ACSS2, ADSS2, GLS2 PTGS2 1038/4885TUBB4A 2958/4885TUBB 2314/4885

“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.

Send feedback