SCHEMBL26196389

SCHEMBL26196389

Cn1ccc(C#Cc2cc([N+](=O)[O-])cnc2N)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CDC7 O00311 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
SCHEMBL30177045 1.00 IDO1 (0.36) IDO1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL26196439 0.77 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL27433891 0.77 GLA (0.37) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL15431214 0.76 IDO1 (0.44) IDO1ALDH1A1LMNAMAPTPOLB
SCHEMBL30177024 0.76 PIK3CD (0.42) IDO1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL28983677 0.76 PIK3CD (0.42) IDO1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1772484 0.74 CASP3 (0.51) IDO1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4249584 0.73 IDO1 (0.42) IDO1ALDH1A1LMNAMAPTPOLB
SCHEMBL1368267 0.73 IDO1 (0.46) IDO1ALDH1A1LMNAMAPTPOLB
SCHEMBL23974673 0.73 IDO1 (0.44) IDO1ALDH1A1LMNAMAPTPOLB

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-20240217965-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS PLEXXIKON INC. 2024-07-04 — — US disclosed
US-11739088-B2 Synthesis of heterocyclic compounds PLEXXIKON INC. (US) 2023-08-29 — — US disclosed
CN-115605460-A Synthesis of heterocyclic compounds 普莱希科公司(US) 2023-01-13 — — 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 (2 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-20240217965-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS CBR3, CBR1, CCNL2 IDO1 2069/4885ALDH1A1 2145/4885LMNA 2512/4885
US-11739088-B2 Synthesis of heterocyclic compounds CBR3, CBR1, CCNL2 IDO1 2069/4885ALDH1A1 2145/4885LMNA 2512/4885

“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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