SCHEMBL10095490

SCHEMBL10095490

CCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HCRTR1 O43613 2/20 0.40
GRIK2 Q13002 2/20 0.40
MTNR1B P49286 2/20 0.39
MTNR1A P48039 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KISS1R Q969F8 1/20 0.38
PFKFB2 O60825 1/20 0.38
NSD2 O96028 1/20 0.38
PFKFB1 P16118 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
SCHEMBL10095487 0.93 HPGD (0.43) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095486 0.92 HPGD (0.45) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095485 0.92 NPC1 (0.41) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095752 0.92 PFKFB2 (0.37) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL981888 0.91 MAPK1 (0.48) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095506 0.91 PFKFB2 (0.43) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095532 0.90 MAPT (0.42) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095535 0.90 MEN1 (0.42) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095489 0.90 LMNA (0.39) MAPTLMNAKDM4ENPC1ALDH1A1
SCHEMBL10095536 0.90 MTNR1B (0.40) MAPTLMNAKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 MAPT 3963/4885LMNA 4373/4885KDM4E 433/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885LMNA 3101/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885LMNA 4367/4885KDM4E 4208/4885

“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.