SCHEMBL106002

SCHEMBL106002

CC1(C)OB(c2cccc([N+](=O)[O-])c2CO[Si](C)(C)C(C)(C)C)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL15967491 0.87 ABL1 (0.35) NPSR1ALDH1A1HTT
SCHEMBL106623 0.80 LPL (0.30)
SCHEMBL3708892 0.77 ROCK2 (0.33)
SCHEMBL15329771 0.77 TDP1 (0.37) NPSR1TDP1ALDH1A1HTT
SCHEMBL2537549 0.77 TDP1 (0.37) NPSR1TDP1ALDH1A1HTT
SCHEMBL12602975 0.77 BACE1 (0.32)
SCHEMBL12602995 0.76 LIPE (0.33)
SCHEMBL25432053 0.76 CYP1A2 (0.33) TDP1ALDH1A1HTT
SCHEMBL17494959 0.76 KMT2A (0.32) TDP1ALDH1A1HTT
SCHEMBL16339641 0.74 BACE1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2025-10-30 US disclosed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20250333414-A1 HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 NPSR1 3168/4885TDP1 602/4885ALDH1A1 4038/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN NPSR1 3580/4885TDP1 419/4885ALDH1A1 3990/4885

“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.