SCHEMBL4557193

SCHEMBL4557193

Cc1ccc(C(=O)N2CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.84
PKM P14618 2/20 0.84
HPGD P15428 2/20 0.75
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 2/20 0.67
GABRD O14764 1/20 0.62
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62
GABRA4 P48169 1/20 0.62
SLC6A7 Q99884 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL10726712 1.00 ALDH1A1 (0.84) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10194850 0.92 PKM (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL82433 0.92 ALDH1A1 (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL6745615 0.92 PKM (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10192065 0.91 ALDH1A1 (0.71) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL1753628 0.91 HPGD (0.76) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL9410794 0.90 ALDH1A1 (0.70) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL21915955 0.90 PKM (0.70) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL12704671 0.90 PKM (0.70) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL20460439 0.90 HPGD (0.80) ALDH1A1PKMHPGDMEN1KMT2A

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-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-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-7514507-B2 Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-04-07 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20070142611-A1 Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-21 US disclosed
US-4031226-A ANTIEMETIC, PSYCHOTROPIC JANSSEN PHARMACEUTICA N.V. (BE) 1977-06-21 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 ALDH1A1 1556/4885PKM 2703/4885HPGD 3067/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885PKM 3828/4885HPGD 1342/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885PKM 3402/4885HPGD 1033/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PKM 3543/4885HPGD 3255/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PKM 3543/4885HPGD 3255/4885

“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.