SCHEMBL10097463

SCHEMBL10097463

CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(N)c2ccc(OCCF)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
LCK P06239 1/20 0.40
MGLL Q99685 3/20 0.39
ROCK2 O75116 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 4/20 0.39
ADORA2B P29275 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13151843 0.92 TP53 (0.45) MAPTTP53LCKMGLLROCK2
SCHEMBL10097452 0.90 ALDH1A1 (0.41) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10249891 0.90 ALDH1A1 (0.41) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL12334326 0.89 TACR3 (0.47) MAPTTP53MGLLROCK2NPC1
SCHEMBL10250941 0.89 SMN1; SMN2 (0.41) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10096240 0.88 MAPT (0.41) MAPTTP53LCKMGLLROCK2
SCHEMBL13151782 0.88 MAPT (0.41) MAPTTP53LCKMGLLROCK2
SCHEMBL10249577 0.88 ALDH1A1 (0.42) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10097557 0.86 ALDH1A1 (0.38) MAPTLCKNPC1RAB9ASMN1; SMN2
SCHEMBL13151775 0.86 ALDH1A1 (0.37) MAPTTP53NPC1RAB9ASMN1; 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MAPT 3547/4885TP53 1579/4885LCK 1701/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885TP53 1262/4885LCK 1192/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885TP53 1262/4885LCK 1192/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885TP53 1710/4885LCK 1910/4885

“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.