SCHEMBL29996043

SCHEMBL29996043

CCCOc1ccc(N2N=C(C)C(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL28700332 0.87 MAPT (0.58) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29996520 0.86 MAPT (0.57) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28703495 0.85 MAPT (0.54) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28708862 0.85 MAPT (0.56) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29409982 0.85 MAPT (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28702468 0.84 MAPT (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29409974 0.84 MAPT (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28685646 0.83 MAPT (0.54) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL28692687 0.83 MAPT (0.54) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29433353 0.82 MAPT (0.51) MAPTALDH1A1KDM4EKMT2AMEN1

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 3 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

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 2884/4885ALDH1A1 238/4885KDM4E 2609/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 MAPT 2884/4885ALDH1A1 238/4885KDM4E 2609/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 MAPT 2884/4885ALDH1A1 238/4885KDM4E 2609/4885

“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.

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