SCHEMBL20186813

SCHEMBL20186813

C#CCCC1c2c(c3cc(OC)ccc3n2[Si](C)(C)C(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ HRAS P01112 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR6 P50406 4/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20186692 0.89 HSD11B1 (0.34) MAPTHTR6MMP8MMP3HSD11B1
SCHEMBL20186640 0.88 NOD1 (0.36) LMNAMAPTHSD11B1SMN1; SMN2
SCHEMBL20186647 0.80 HTR6 (0.37) LMNAMAPTHTR6SMN1; SMN2
SCHEMBL20186811 0.78 TP53 (0.37) LMNAHSD11B1SMN1; SMN2
SCHEMBL20186463 0.78 HTR6 (0.36) LMNAHTR6SMN1; SMN2
SCHEMBL18201257 0.64 ABCB1 (0.35) —
SCHEMBL4299538 0.63 HTR6 (0.43) LMNAMAPTHTR6MMP3
SCHEMBL11764024 0.59 LMNA (0.46) LMNAMAPTMMP8MMP3SMN1; SMN2
SCHEMBL6965248 0.59 CNR2 (0.46) LMNAMAPTHTR6PTPN11SMN1; SMN2
SCHEMBL11509427 0.58 PKM (0.56) LMNAIDO1HSD11B1HTTRECQL

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 LMNA 2907/4885MAPT 1714/4885CA1 3877/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT LMNA 2907/4885MAPT 1714/4885CA1 3877/4885

“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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