SCHEMBL4248538

SCHEMBL4248538

COc1ccc(NC(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.78
RAB9A P51151 6/20 0.78
ALDH1A1 P00352 2/20 0.78
TP53 P04637 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
USP2 O75604 1/20 0.64
MAPT P10636 5/20 0.63
PTGS2 P35354 1/20 0.62
NQO2 P16083 1/20 0.62
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
ALOX5 P09917 1/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NAMPT P43490 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL17664663 0.91 MEN1 (0.72) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL18407544 0.88 NPC1 (0.78) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL11688832 0.87 NPC1 (0.60) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL11693468 0.87 NPC1 (0.60) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4256379 0.86 NPC1 (0.76) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL95558 0.86 NPC1 (0.76) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL5492048 0.86 RAB9A (0.75) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL9696412 0.85 NR1H4 (0.77) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL14363190 0.84 KCNK3 (0.68) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL5888834 0.82 NPC1 (0.61) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (4 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 297/4885RAB9A 3975/4885ALDH1A1 591/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885ALDH1A1 204/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885ALDH1A1 1497/4885

“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.