SCHEMBL7049007

SCHEMBL7049007

CC[Si](CC)(CC)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TAAR1 Q96RJ0 7/20 0.35
HTR1A P08908 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NISCH Q9Y2I1 2/20 0.33
ALOX15 P16050 1/20 0.33
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
TERT O14746 1/20 0.31
F2RL1 P55085 2/20 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
SCHEMBL28443985 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL28449449 0.79 CYP1A2 (0.41) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL207 0.72
SCHEMBL15140518 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL3174030 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL253735 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2ALOX15
SCHEMBL1374565 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TAAR1NISCHALOX15
SCHEMBL1551505 0.69 CYP3A4 (0.40) ALDH1A1SMN1; SMN2TXNTXNRD1TAAR1
SCHEMBL28418820 0.68
SCHEMBL4964412 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TAAR1NISCHALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022256490-A9 IMPROVED SYNTHESIS OF PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS Antios Therapeutics, Inc. (US) 2023-08-17 WO claimed
CN-115458809-A Electrolyte and lithium ion battery comprising same 香河昆仑新能源材料股份有限公司 2022-12-09 CN claimed
CN-111584841-B Composite material, preparation method thereof and water-based lithium ion battery 宁波锋成纳米科技有限公司 2021-07-27 CN claimed
CN-111584841-A Composite material, preparation method thereof and water-based lithium ion battery 宁波锋成纳米科技有限公司 2020-08-25 CN claimed
CN-109476525-A The preparation method for the silica preform applied in production optical fiber 普睿司曼股份公司 2019-03-15 CN claimed
WO-2023243720-A1 METHOD FOR PRODUCING SILANE-CONTAINING CONDENSED RING DIPEPTIDE COMPOUND 学校法人中部大学 2023-12-21 WO disclosed
CN-115458809-A Electrolyte and lithium ion battery comprising same 香河昆仑新能源材料股份有限公司 2022-12-09 CN disclosed
WO-2022190486-A1 SILANE-CONTAINING CONDENSED CYCLIC DIPEPTIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND METHOD FOR PRODUCING POLYPEPTIDE COMPOUND USING SAME 学校法人中部大学 2022-09-15 WO disclosed
CN-111584841-B Composite material, preparation method thereof and water-based lithium ion battery 宁波锋成纳米科技有限公司 2021-07-27 CN disclosed
CN-111584841-A Composite material, preparation method thereof and water-based lithium ion battery 宁波锋成纳米科技有限公司 2020-08-25 CN disclosed
CN-104203984-B The manufacture method of hydroxy alkylated polyrotaxane 宇部兴产株式会社 2018-02-16 CN disclosed
US-20030216441-A1 Farnesyltransferase inhibitors WEINSTOCK, STEVEN F. 2003-11-20 US disclosed
US-6380378-B1 BIOSYNTHESIS TOAGOSEI COMPANY, LTD. (JP) 2002-04-30 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-20030216441-A1 Farnesyltransferase inhibitors FNTA, FNTB, LCAT ALDH1A1 665/4885SMN1; SMN2 4512/4885TXN 2232/4885

“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.