SCHEMBL3005375

SCHEMBL3005375

CC1=C(c2nnc(Cc3ccccc3)o2)C(c2cccc3ccccc23)C2=C(CCCC2=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.41
FFAR3 O14843 5/20 0.41
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
GAA P10253 2/20 0.40
GPR174 Q9BXC1 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BAP1 Q92560 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2996120 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL2993652 0.73 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1KDM4EFFAR3
SCHEMBL17501871 0.70 ALDH1A1 (0.64) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3005310 0.70 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1KDM4EFFAR3HSD17B10
SCHEMBL3328869 0.70 KDM4E (0.63) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3323513 0.69 ALDH1A1 (0.66) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL11693805 0.68 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL17501866 0.68 KDM4E (0.56) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3005526 0.68 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1KDM4EFFAR3
SCHEMBL10731722 0.67 APLNR (0.44) SMN1; SMN2LMNAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885ALDH1A1 274/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885ALDH1A1 274/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885ALDH1A1 274/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885ALDH1A1 274/4885

“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.