SCHEMBL10191908

SCHEMBL10191908

CC#Cc1cccc(NC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
PTPN11 Q06124 1/20 0.39
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KCNA5 P22460 1/20 0.34
GRM5 P41594 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
IKBKB O14920 1/20 0.33
HAO1 Q9UJM8 2/20 0.33
LIMK1 P53667 1/20 0.33
EGFR P00533 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL29960515 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1KCNA5
SCHEMBL224028 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1KCNA5
SCHEMBL4098064 0.79 ALDH1A1 (0.50) ALDH1A1PTPN11KMT2AMAPTMEN1
SCHEMBL18993220 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1EGFR
SCHEMBL2884609 0.77 TSHR (0.41) ALDH1A1PTPN11CYP1A1CYP1A2CYP1B1
SCHEMBL10191914 0.77 ALDH1A1 (0.46) ALDH1A1PTPN11CYP1A1CYP1A2CYP1B1
SCHEMBL12129057 0.76 ALDH1A1 (0.67) ALDH1A1CYP1A2KMT2AMAPTMEN1
SCHEMBL10191916 0.75 KCNA5 (0.44) ALDH1A1PTPN11CYP1A1CYP1A2CYP1B1
SCHEMBL10191902 0.74 ALDH1A1 (0.59) ALDH1A1PTPN11CYP1A2KMT2AMEN1
SCHEMBL22658427 0.74 PTPN11 (0.57) ALDH1A1PTPN11KMT2AMAPTMEN1

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 ALDH1A1 1556/4885PTPN11 4167/4885CYP1A1 2265/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885PTPN11 3278/4885CYP1A1 1193/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885PTPN11 4442/4885CYP1A1 3292/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PTPN11 3619/4885CYP1A1 3730/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885PTPN11 3619/4885CYP1A1 3730/4885

“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.