SCHEMBL2913207

SCHEMBL2913207

Cc1c(C)c2c(c(C)c1NC(=O)c1cccnc1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
AGTR1 P30556 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2905121 0.89 RAB9A (0.37) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL2911427 0.89 LMNA (0.40) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2942902 0.88 ROCK2 (0.37) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL2912995 0.84 SMN1; SMN2 (0.39) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL2909184 0.82 RAB9A (0.41) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4092709 0.82 TP53 (0.31) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL2938828 0.80 RAB9A (0.42) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL2910674 0.79 PKM (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3610547 0.77 RAB9A (0.32) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL3603904 0.76 RAB9A (0.32) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885NPC1 2368/4885TP53 3848/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885NPC1 2368/4885TP53 3848/4885

“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.