SCHEMBL16136131

SCHEMBL16136131

Cc1cc2ccccc2n1[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 4/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TERT O14746 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 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
SCHEMBL2489091 0.80 MTNR1A (0.35) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL17442782 0.80 SLC6A2 (0.34) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL28823996 0.79 SLC6A2 (0.33) SLC6A2KMT2ATERTDAOMCL1
SCHEMBL444430 0.77 HTR2A (0.39) SLC6A2KMT2AMEN1HTTTP53
SCHEMBL28305342 0.76 TERT (0.33) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL1885008 0.71 KMT2A (0.42) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL824096 0.71 LPL (0.38)
SCHEMBL11691662 0.68 KMT2A (0.43) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL19546257 0.68 KMT2A (0.40) SLC6A2KMT2AMEN1HTTKDM4E
SCHEMBL154592 0.67 KMT2A (0.55) SLC6A2KMT2AMEN1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 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 (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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE SLC6A2 2887/4885KMT2A 4326/4885MEN1 2712/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE SLC6A2 2887/4885KMT2A 4326/4885MEN1 2712/4885

“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.