SCHEMBL25018193

SCHEMBL25018193

Cc1cc[n+](CCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ PSMB8 P28062 2/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL14454729 0.96 HTT (0.41) HTTALDH1A1ABL1RIN1PSMB8
SCHEMBL21695021 0.81 KMT2A (0.38) HTTALDH1A1ABL1RIN1PSMB8
SCHEMBL10309800 0.79 NAAA (0.46) SMN1; SMN2LMNAKDM4E
SCHEMBL18138134 0.79 KMT2A (0.36) HTTALDH1A1ABL1RIN1PSMB8
Hydrochloric Acid SCHEMBL29517283 0.78 KDM4A (0.49) HTTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL18356778 0.77 NAAA (0.53) KMT2ASMN1; SMN2
SCHEMBL15176976 0.77 L3MBTL1 (0.48) HTTALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL34383 0.77 SMN1; SMN2 (0.36) HTTPSMB8PSMB5KMT2ASMN1; SMN2
SCHEMBL22777675 0.77 SMN1; SMN2 (0.36) HTTPSMB8PSMB5KMT2ASMN1; SMN2
SCHEMBL290461 0.77 SMN1; SMN2 (0.40) HTTALDH1A1PSMB8PSMB5KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578265-B2 AIEgens for cancer cell imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-02-14 — — 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 (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-11578265-B2 AIEgens for cancer cell imaging CD4, MKI67, CCNB1 HTT 3082/4885ALDH1A1 982/4885ABL1 1417/4885

“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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