SCHEMBL29663315

SCHEMBL29663315

C[Si](C)([O-])CCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1.[Na+]

nearest known ligand 0.74

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 known ✓ P30542 1/20 0.66
▸ PDE3A known ✓ Q14432 1/20 0.66
▸ PARP1 P09874 20/20 0.74
▸ TNKS O95271 1/20 0.66
▸ CDK6 Q00534 1/20 0.66
▸ PARP6 Q2NL67 1/20 0.66
▸ PARP15 Q460N3 1/20 0.66
▸ PARP14 Q460N5 1/20 0.66
▸ PARP10 Q53GL7 1/20 0.66
▸ TIPARP Q7Z3E1 1/20 0.66
▸ PARP8 Q8N3A8 1/20 0.66
▸ PARP16 Q8N5Y8 1/20 0.66
▸ PARP12 Q9H0J9 1/20 0.66
▸ TNKS2 Q9H2K2 1/20 0.66
▸ PARP11 Q9NR21 1/20 0.66
▸ PARP2 Q9UGN5 1/20 0.66
▸ PARP4 Q9UKK3 1/20 0.66
▸ PARP3 Q9Y6F1 1/20 0.66

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
SCHEMBL19694846 0.92 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19705895 0.90 PARP1 (0.74) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL18868376 0.88 PARP1 (0.88) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL20386905 0.88 PARP1 (0.78) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL9887628 0.88 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL29722673 0.88 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL24529039 0.87 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL20386818 0.87 PARP1 (0.77) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL29923010 0.87 PARP1 (0.76) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL29922994 0.87 PARP1 (0.76) PARP1TNKSADORA1CDK6PDE3A

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-11497757-B2 Silanol based therapeutic payloads BLINKBIO, INC. (US) 2022-11-15 — — US disclosed
US-20220184104-A1 SILANOL BASED THERAPEUTIC PAYLOADS BLINKBIO INC (US) 2022-06-16 — — 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-11497757-B2 Silanol based therapeutic payloads CD47, CD4, BST2 ADORA1 4566/4885PDE3A 4782/4885PARP1 2040/4885
US-20220184104-A1 SILANOL BASED THERAPEUTIC PAYLOADS CD47, CD4, BST2 ADORA1 4566/4885PDE3A 4782/4885PARP1 2040/4885

“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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