SCHEMBL10143655

SCHEMBL10143655

Cc1cc2ccc(C)nn2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 1/20 0.33
MAPT P10636 3/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL20602282 0.71 AHR (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16417544 0.70 CCR1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL23872879 0.68 ALDH1A1 (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24633616 0.68 MAP4K4 (0.44) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL8887656 0.67 LMNA (0.44) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL25374337 0.67 CYP2A6 (0.33) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10743642 0.67 RAB9A (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL25416955 0.66 LMNA (0.58) KDM4ERAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31066545 0.66 NPC1 (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8198546 0.65 KDM4E (0.31) KDM4EMAPTMEN1KMT2A

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-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (3 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4063/4885RAB9A 1313/4885NPC1 119/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4113/4885RAB9A 1482/4885NPC1 122/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4113/4885RAB9A 1482/4885NPC1 122/4885

“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.