SCHEMBL10192084

SCHEMBL10192084

C/C(=C\C#N)Nc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.47
TGM2 P21980 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRB2 P47870 1/20 0.41
NMT1 P30419 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
DDAH1 O94760 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27855264 0.82 MAPT (0.52) TDP1MAPTPOLBNPC1RAB9A
SCHEMBL13767805 0.82 MAPT (0.52) TDP1MAPTPOLBNPC1RAB9A
SCHEMBL5204312 0.79 HSD17B10 (0.54) MAPTALDH1A1PKMTP53SMN1; SMN2
SCHEMBL8342694 0.79 HSD17B10 (0.54) MAPTALDH1A1PKMTP53SMN1; SMN2
SCHEMBL5204300 0.79 HSD17B10 (0.54) MAPTALDH1A1PKMTP53SMN1; SMN2
SCHEMBL18890669 0.77 TDP1 (0.58) TDP1MAPTTGM2POLBNPC1
SCHEMBL23886762 0.76 GAA (0.39) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL23886761 0.76 GAA (0.39) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL30338138 0.76 GAA (0.39) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL15494369 0.71 TDP1 (0.50) TDP1MAPTTGM2POLBNPC1

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 7 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-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 (5 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 TDP1 3641/4885MAPT 3963/4885TGM2 1828/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS TDP1 4303/4885MAPT 3547/4885TGM2 505/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS TDP1 3708/4885MAPT 4416/4885TGM2 355/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TDP1 4578/4885MAPT 4477/4885TGM2 480/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TDP1 4578/4885MAPT 4477/4885TGM2 480/4885

“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.