SCHEMBL10164899

SCHEMBL10164899

Cc1nsc2ccc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
ABCC9 O60706 1/20 0.36
MIF P14174 1/20 0.36
GRM4 Q14833 1/20 0.36
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CHUK O15111 1/20 0.34
STS P08842 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
DYRK1A Q13627 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL31586680 0.79 KDM4E (0.48) G6PDALDH1A1ABCC9MIFHTT
SCHEMBL2615998 0.75 GRM4 (0.40) ALDH1A1CYP2A6GRM4MAPT
SCHEMBL31165729 0.72 GRM4 (0.41) ALDH1A1GRM4MAPTGAA
SCHEMBL7377972 0.72 GRM4 (0.38) ALDH1A1GRM4MAPT
SCHEMBL855507 0.72 GRM4 (0.41) ALDH1A1GRM4MAPTGAA
SCHEMBL17826978 0.72 GRM4 (0.38) ALDH1A1GRM4MAPT
SCHEMBL10164894 0.72 EPAS1 (0.38) ALDH1A1CYP2A6GRM4HTTCASP3
SCHEMBL3160662 0.70 STS (0.46) G6PDALDH1A1CYP2A6MIFCHUK
SCHEMBL30506249 0.69 ALDH1A1 (0.43) ALDH1A1CYP2A6CHUKCASP3
SCHEMBL20116697 0.69 ALDH1A1 (0.43) ALDH1A1CYP2A6CHUKCASP3

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 G6PD 4436/4885ALDH1A1 1806/4885CYP2A6 615/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 G6PD 4436/4885ALDH1A1 1806/4885CYP2A6 615/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 G6PD 4436/4885ALDH1A1 1806/4885CYP2A6 615/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 G6PD 4436/4885ALDH1A1 1806/4885CYP2A6 615/4885

“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.