SCHEMBL20186640

SCHEMBL20186640

C#CCCC1c2c(c3ccccc3n2[Si](C)(C)C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL20186463 0.90 HTR6 (0.36) NOD1NOD2ALDH1A1LMNAL3MBTL1
SCHEMBL20186692 0.89 HSD11B1 (0.34) HSD11B1ACHEMAPTALDH1A1TDP1
SCHEMBL20186813 0.88 LMNA (0.38) HSD11B1MAPTLMNASMN1; SMN2
SCHEMBL20186647 0.79 HTR6 (0.37) MAPTALDH1A1LMNAHTR5AGBA1
SCHEMBL18201257 0.76 ABCB1 (0.35) —
SCHEMBL14738049 0.59 ACHE (0.65) HSD11B1ACHEMAPTALDH1A1LMNA
SCHEMBL7122701 0.59 ACHE (0.65) HSD11B1ACHEMAPTALDH1A1LMNA
SCHEMBL30558751 0.58 CA1 (0.49) HSD11B1ACHEALDH1A1MMP2
SCHEMBL38658824 0.57 ACHE (0.54) HSD11B1ACHEMAPTALDH1A1LMNA
SCHEMBL16802348 0.57 ACHE (0.69) HSD11B1ACHELMNASMN1; SMN2

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
EP-3288921-B1 POLYCYCLIC INDOLINE AND INDOLENINE COMPOUNDS UNIV COLORADO REGENTS (US) 2022-06-15 — — EP disclosed
US-10253024-B2 Polycyclic indoline and indolenine compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-04-09 — — US disclosed
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — 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 (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-10253024-B2 Polycyclic indoline and indolenine compounds IDO1, IDO2, INMT NOD1 872/4885HSD11B1 1868/4885ACHE 176/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT NOD1 872/4885HSD11B1 1868/4885ACHE 176/4885

“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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