SCHEMBL2995442

SCHEMBL2995442

N#CC1=C(N)NC2=C(C(=O)CCC2)C1c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 8/20 0.61
GAA P10253 5/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
RECQL P46063 2/20 0.53
ALOX12 P18054 2/20 0.53
IDO1 P14902 1/20 0.51
GLA P06280 1/20 0.51
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
HTT P42858 2/20 0.48
FFAR3 O14843 1/20 0.48

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
SCHEMBL6909423 0.72 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3325157 0.71 KDM4E (0.70) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4083094 0.70 GAA (0.66) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL15435894 0.70 GPR174 (0.74) MEN1KMT2AMAPT
SCHEMBL3326941 0.69 KDM4E (0.77) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL12869960 0.69 GPR174 (0.59) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7820326 0.67 ALDH1A1 (0.67) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7817092 0.67 GPR174 (0.70) KDM4EMEN1KMT2ALMNATSHR
SCHEMBL7817859 0.67 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3324841 0.67 ALDH1A1 (0.79) KDM4EALDH1A1GAAMEN1KMT2A

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-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
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 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 (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 KDM4E 1088/4885ALDH1A1 274/4885GAA 1171/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885GAA 1171/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885GAA 1171/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885GAA 1171/4885

“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.