SCHEMBL28539101

SCHEMBL28539101

COc1cc(C(N)=O)cc([N+](=O)[O-])c1NCCCCNc1c([N+](=O)[O-])cc(C(N)=O)c2c1CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
G6PD P11413 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PRSS1 P07477 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL29822513 0.83 FFAR4 (0.32) HTTKMT2A
SCHEMBL28525953 0.83 FFAR4 (0.32) HTTKMT2A
Hydrochloric Acid SCHEMBL28542838 0.77 MAPT (0.47) MAPTGAATDP1PKMSMN1; SMN2
SCHEMBL19436434 0.76 MAPT (0.49) MAPTGAATDP1PKMSMN1; SMN2
SCHEMBL19436435 0.76 MAPT (0.49) MAPTGAATDP1PKMSMN1; SMN2
SCHEMBL28510943 0.76 MAPT (0.46) MAPTGAATDP1PKMSMN1; SMN2
SCHEMBL29200491 0.75 LMNA (0.47) MAPTGAAKDM4ETDP1PKM
SCHEMBL5517552 0.75 LMNA (0.42) MAPTGAAKDM4ELMNAPOLB
SCHEMBL2695937 0.75 LMNA (0.42) MAPTGAAKDM4ELMNAPOLB
SCHEMBL19437401 0.75 MAPT (0.51) MAPTGAATDP1PKMLMNA

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-12492212-B2 Substituted pyrazolecarboxamides as sting activators SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-12-09 US disclosed
CN-114981273-B Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国科学院上海药物研究所 2024-03-01 CN disclosed
CN-114981273-A Heterocyclic amide compound, pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国科学院上海药物研究所 2022-08-30 CN disclosed
EP-4032890-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-07-27 EP disclosed
CN-112521394-A Heterocyclic amide compound, pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2021-03-19 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 (1 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-12492212-B2 Substituted pyrazolecarboxamides as sting activators STING1, CGAS, TBK1 MAPT 4716/4885GAA 1114/4885KDM4E 3154/4885

“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.