SCHEMBL633015

SCHEMBL633015

CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](Nc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.43
PIM2 Q9P1W9 2/20 0.39
FADS1 O60427 1/20 0.39
CTSV O60911 1/20 0.37
PLAT P00750 1/20 0.37
CTSL P07711 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CASP14 P31944 1/20 0.37
CTSK P43235 1/20 0.37
CASP6 P55212 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
PAK4 O96013 1/20 0.36
LMNA P02545 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
FLT3 P36888 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL632207 1.00 PIM1 (0.43) PIM1PIM2FADS1CTSVPLAT
SCHEMBL12916449 0.81 FPR2 (0.36) PIM1LMNAMEN1KMT2A
SCHEMBL26626202 0.80 FADS1 (0.39) PIM1FADS1CTSVPLATCTSL
SCHEMBL4176467 0.78 FADS1 (0.54) FADS1CTSVPLATCTSLCTSH
SCHEMBL944655 0.78 EPHX2 (0.45) EPHX2
SCHEMBL24394594 0.78 TSHR (0.43) PIM1FADS1CTSVPLATCTSL
SCHEMBL29985809 0.78 TSHR (0.45) PIM1FADS1CTSVPLATCTSL
SCHEMBL24394451 0.78 TSHR (0.43) PIM1FADS1CTSVPLATCTSL
SCHEMBL16302289 0.77 KDM4E (0.37) PIM1
Hydrochloric Acid SCHEMBL16345623 0.77 FADS1 (0.53) FADS1CTSVPLATCTSLCTSH

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-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R PIM1 2938/4885PIM2 3146/4885FADS1 591/4885

“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.