SCHEMBL4874637

SCHEMBL4874637

COc1cccc(C(C)(N)I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
ACHE P22303 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TAAR1 Q96RJ0 4/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL3973199 1.00 KIF11 (0.50) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL5324674 1.00 KIF11 (0.50) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL23343726 0.84 ACHE (0.48) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL2060637 0.84 ALDH1A1 (0.52) KIF11ALDH1A1CYP3A4ACHECA1
Hydrochloric Acid SCHEMBL30324798 0.82 ALDH1A1 (0.50) KIF11ALDH1A1CYP3A4ACHECA1
Hydrochloric Acid SCHEMBL29240545 0.82 ALDH1A1 (0.50) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL2636367 0.81 ACHE (0.50) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL7884887 0.81 ALDH1A1 (0.48) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL8408204 0.79 ACHE (0.52) KIF11ALDH1A1CYP3A4ACHECA1
SCHEMBL146154 0.79 ACHE (0.52) KIF11ALDH1A1CYP3A4ACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. 2008-10-16 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 (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-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS ACHE, EHMT1, BCHE KIF11 4245/4885ALDH1A1 1784/4885CYP3A4 446/4885

“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.