SCHEMBL5281315

SCHEMBL5281315

CC(C)c1nnn(C(C)C)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
MAPK14 Q16539 1/20 0.30
TOP2A P11388 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
SCHEMBL5278527 0.78 TOP2A (0.36) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5277066 0.74 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5280819 0.74 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TDP1
SCHEMBL5276140 0.74 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TDP1
SCHEMBL5284560 0.74
SCHEMBL24221891 0.73 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5277971 0.73 TOP2A (0.33) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5274196 0.73 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL24015389 0.73 HPGD (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A
SCHEMBL5281118 0.73 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2C19SMN1; SMN2TOP2A

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
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF SIGILON THERAPEUTICS, INC. 2023-09-14 US disclosed
US-20230045277-A1 COMPOUNDS, POLYMERS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2023-02-09 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-20230045277-A1 COMPOUNDS, POLYMERS, DEVICES, AND USES THEREOF PAH, BMP2, COL2A1 ALDH1A1 1058/4885CYP1A2 361/4885CYP2C19 82/4885
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF ZFX, XPA, CTCF ALDH1A1 1825/4885CYP1A2 3887/4885CYP2C19 4544/4885

“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.