SCHEMBL3608276

SCHEMBL3608276

Cc1ccc(NC(=O)C2c3ccccc3CCN2C(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
ALDH1A1 P00352 2/20 0.42
XIAP P98170 1/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3601140 0.90 F11 (0.48) RAB9ANPC1XIAPPPARGPPARD
SCHEMBL3609162 0.89 KMT2A (0.47) RAB9ANPC1XIAPLMNAMEN1
SCHEMBL3612848 0.87 XIAP (0.47) RAB9ANPC1ALDH1A1XIAPLMNA
SCHEMBL3612495 0.83 XIAP (0.50) XIAPHTTMEN1KMT2A
SCHEMBL3604413 0.82 ALDH1A1 (0.47) ALDH1A1XIAPKMT2A
SCHEMBL3611346 0.82 XIAP (0.40) XIAPPPARGPPARDPPARAMEN1
SCHEMBL3609217 0.82 XIAP (0.40) XIAPPPARGPPARDPPARA
SCHEMBL3598720 0.81 XIAP (0.45) XIAPPPARGPPARDPPARAMEN1
SCHEMBL3600106 0.81 POLB (0.47) RAB9AALDH1A1XIAPLMNAHTT
SCHEMBL3598924 0.80 XIAP (0.40) RAB9ANPC1XIAPLMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 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-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA RAB9A 476/4885NPC1 2322/4885APOBEC3A 4779/4885

“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.