SCHEMBL25173418

SCHEMBL25173418

C[Si](C)(C)CCOCn1nc(F)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ F2RL1 P55085 1/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30

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
SCHEMBL25458468 0.85 DCTPP1 (0.31) NPC1DCTPP1TDP1RECQLRAB9A
SCHEMBL25175972 0.82 ALDH1A1 (0.33) NPC1F2RL1DGAT1TDP1RECQL
SCHEMBL25170244 0.80 ALOX5AP (0.35) NPC1F2RL1DGAT1
SCHEMBL14910262 0.79 KDR (0.37) NPC1DCTPP1TDP1RECQLRAB9A
SCHEMBL4718604 0.78 TDP1 (0.37) NPC1DCTPP1TDP1RECQLRAB9A
SCHEMBL10076076 0.76 TDP1 (0.36) DCTPP1TDP1HSD17B10ALDH1A1
SCHEMBL14910863 0.75 TDP1 (0.39) NPC1TDP1RAB9AHSD17B10ALDH1A1
SCHEMBL31411406 0.75 F2RL1 (0.32) NPC1F2RL1DGAT1RAB9AALDH1A1
SCHEMBL6286068 0.74 KDM4E (0.39) NPC1TDP1RAB9AALDH1A1LMNA
SCHEMBL29540761 0.73 ALDH1A1 (0.42) NPC1SLC5A2ALDH1A1LMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — US disclosed
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — 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 (1 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-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CDK1, CSNK1A1, CSNK1G1 NPC1 1709/4885F2RL1 3648/4885DGAT1 2010/4885

“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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