SCHEMBL480319

SCHEMBL480319

COc1ccc(CC(=O)c2ccc3nccnc3c2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.48
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.44
DGAT2 Q96PD7 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.40
CSNK1D P48730 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL480063 0.82 TDP1 (0.41) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL479898 0.81 DYRK1A (0.40) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL4914396 0.75 RAB9A (0.58) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL474639 0.74 SMN1; SMN2 (0.53) MAPTSMN1; SMN2HTTPOLBALDH1A1
SCHEMBL27974423 0.72 CYP3A4 (0.45) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL30557829 0.72 CYP3A4 (0.47) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL473881 0.72 HSD17B10 (0.63) MAPTHTTPOLBRECQLMEN1
SCHEMBL473944 0.72 HSD17B10 (0.46) HTTPOLBMEN1KMT2AALDH1A1
SCHEMBL17767019 0.72 CYP3A4 (0.47) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL480012 0.72 ALDH1A1 (0.55) MAPTSMN1; SMN2HTTPOLBHPGD

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-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 MAPT 2644/4885RAB9A 1623/4885SMN1; SMN2 4229/4885

“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.