SCHEMBL29433461

SCHEMBL29433461

CC(=O)c1cc([N+](=O)[O-])c2occc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDE7A Q13946 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP6 P55212 1/20 0.39
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
TTR P02766 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL18876048 0.78 TSHR (0.47) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL31009379 0.78 HSP90AA1 (0.46) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6445623 0.76 ATM (0.43) MAPK1ALDH1A1PDE7ATSHRTTR
SCHEMBL1059436 0.74 GPR35 (0.48) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL26095095 0.74 MAPT (0.39) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL30950146 0.74 MAPT (0.39) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6453041 0.74 LMNA (0.47) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL31009352 0.74 LMNA (0.47) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7480987 0.72 PKM (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7488343 0.72 KDM4E (0.38) MAPTALDH1A1POLB

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 4 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

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 MAPT 2884/4885MAPK1 1469/4885ALDH1A1 238/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 MAPT 2884/4885MAPK1 1469/4885ALDH1A1 238/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 MAPT 2884/4885MAPK1 1469/4885ALDH1A1 238/4885

“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.