SCHEMBL981058

SCHEMBL981058

CCn1cc(C=NO)c2ccc(OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
HTR6 P50406 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.40
DYRK1A Q13627 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALOX12 P18054 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL981057 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL10193400 0.82 HTT (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL981876 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL10251771 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL7850213 0.75 HTR6 (0.49) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL980722 0.75 GAA (0.56) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL12108769 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL980636 0.72 KDM4E (0.70) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL980423 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL14205664 0.72 HTR6 (0.50) ALDH1A1KDM4EHPGDTSHRRAB9A

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 14 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (9 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 1556/4885KDM4E 433/4885HPGD 3067/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885KDM4E 3422/4885HPGD 1342/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885KDM4E 3703/4885HPGD 1033/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885KDM4E 4020/4885HPGD 3255/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS ALDH1A1 591/4885KDM4E 3703/4885HPGD 1033/4885

“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.