SCHEMBL2884773

SCHEMBL2884773

N#Cc1c(-c2ccc(N)cc2)n(C2CC2)c2cc(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ESR1 P03372 3/20 0.34
ESR2 Q92731 1/20 0.34
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL982091 0.95 KDM4E (0.39) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL982546 0.83 MAPT (0.44) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL1297605 0.82 CYP11B2 (0.40) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL12107216 0.81 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL10096523 0.80 CYP11B2 (0.38) CYP11B2KDM4EALDH1A1LMNAHTT
SCHEMBL2883598 0.79 KDM4E (0.43) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL14467980 0.79 PRKACA (0.37) KDM4EALDH1A1GAAMAPTESR1
SCHEMBL14467874 0.78 CYP11B2 (0.37) CYP11B2KDM4EALDH1A1LMNAGAA
SCHEMBL2884180 0.77 CYP11B2 (0.37) CYP11B2KDM4EALDH1A1LMNAHTT
SCHEMBL2881906 0.77 KDM4E (0.41) KDM4EALDH1A1LMNAGAAHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-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-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CYP11B2 1863/4885KDM4E 4020/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CYP11B2 1863/4885KDM4E 4020/4885ALDH1A1 1497/4885

“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.