SCHEMBL29979560

SCHEMBL29979560

C[Si](C)(C)C#Cc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.41
TSHR P16473 1/20 0.36
PGR P06401 1/20 0.35
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL27088355 1.00 VCAM1 (0.41) VCAM1TSHRPGRCYP19A1MEN1
SCHEMBL29980428 0.81 VCAM1 (0.41) VCAM1TSHR
SCHEMBL8490064 0.81 VCAM1 (0.41) VCAM1TSHR
SCHEMBL852757 0.78 GRM5 (0.43)
SCHEMBL30956694 0.77 ALDH1A1 (0.46) VCAM1MEN1LMNAHTTKMT2A
SCHEMBL529557 0.77 VCAM1 (0.39) VCAM1TSHRLMNAHTT
SCHEMBL27198413 0.75 VCAM1 (0.42) VCAM1TSHRCYP19A1MEN1LMNA
SCHEMBL1477526 0.75 ALDH1A1 (0.52) TSHRMEN1LMNAHTTKMT2A
SCHEMBL6299891 0.75 VCAM1 (0.39) VCAM1TSHRPGRCYP19A1HTT
SCHEMBL2303201 0.74 VCAM1 (0.74) VCAM1TSHRCYP19A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer TOLREMO THERAPEUTICS AG (CH) 2026-04-07 US disclosed
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2025-07-31 US disclosed
US-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2024-10-03 US disclosed
EP-4320109-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER Tolremo Therapeutics AG (CH) 2024-02-14 EP disclosed
WO-2022214606-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2022-10-13 WO 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 (3 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-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer SLC10A1, MAPT, SLC6A6 VCAM1 4211/4885TSHR 3591/4885PGR 1906/4885
US-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 VCAM1 4615/4885TSHR 4220/4885PGR 2236/4885
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 VCAM1 4615/4885TSHR 4220/4885PGR 2236/4885

“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.