SCHEMBL9948523

SCHEMBL9948523

C[Si](C)(C)CCOCn1nc(CBr)c(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.37
F11 P03951 1/20 0.33
DGAT1 O75907 1/20 0.33
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TNNI3 P19429 1/20 0.30
CRHBP P24387 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
TNNT2 P45379 1/20 0.30
CASP7 P55210 1/20 0.30
TNNC1 P63316 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CRHR2 Q13324 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL9949048 0.84 KMT2A (0.38) NPC1MAPK1KMT2A
SCHEMBL31469360 0.83 DGAT1 (0.36) F11DGAT1NPC1KDM4EMEN1
SCHEMBL31469232 0.74 LIPG (0.40) F11DGAT1KEAP1NFE2L2
SCHEMBL26453168 0.73 DGAT1 (0.37) F11DGAT1NPC1MEN1KMT2A
SCHEMBL9949149 0.73 HSD17B10 (0.46) NPC1KDM4EMAPK1KMT2A
SCHEMBL26101590 0.71 DGAT1 (0.45) DGAT1
SCHEMBL6470056 0.71 KMT2A (0.49) F11NPC1KDM4EMEN1USP2
SCHEMBL4839289 0.70 F11 (0.39) F11DGAT1NPC1KDM4EMAPK1
SCHEMBL31469288 0.70 DGAT1 (0.42) F11DGAT1NPC1
SCHEMBL17619676 0.69 KDM4E (0.40) F11DGAT1NPC1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 ERBB2 2530/4885F11 2512/4885DGAT1 305/4885

“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.