SCHEMBL10095441

SCHEMBL10095441

CCn1c(C#Cc2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.40
MCHR1 Q99705 1/20 0.40
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASR P41180 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HCRTR1 O43613 1/20 0.37
ALOX15 P16050 1/20 0.36
RORC P51449 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL979640 0.92 MTNR1B (0.44) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL979508 0.91 MAPT (0.40) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10097671 0.89 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095427 0.87 MCHR1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095405 0.87 MCHR1 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095408 0.85 MCHR1 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095428 0.85 ALDH1A1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095423 0.85 MCHR1 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095575 0.84 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10095416 0.84 HCRTR1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD

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 9 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-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-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 3963/4885SMN1; SMN2 4841/4885KDM4E 433/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885SMN1; SMN2 4525/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885SMN1; SMN2 4565/4885KDM4E 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.