SCHEMBL1179709

SCHEMBL1179709

COc1cccc(-c2nc(Br)cs2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
CYP19A1 P11511 2/20 0.55
SREBF2 Q12772 1/20 0.52
RAB9A P51151 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PIM1 P11309 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL1180783 0.83 CYP19A1 (0.76) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL9830244 0.81 ALDH1A1 (0.63) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1180096 0.80 MAPT (0.59) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL19002554 0.79 MAPT (0.75) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL1181045 0.79 CYP19A1 (0.67) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL23367891 0.79 ALDH1A1 (0.60) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL3508223 0.79 ALDH1A1 (0.60) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL23755188 0.79 TP53 (0.47) ALDH1A1MAPTSREBF2RAB9ANPC1
SCHEMBL18997262 0.79 MAPT (0.70) ALDH1A1MAPTTDP1KDM4ELMNA
SCHEMBL3506911 0.78 ALDH1A1 (0.59) ALDH1A1MAPTTDP1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
EP-2190466-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF Burnham Institute for Medical Research (US) 2010-06-02 EP disclosed
WO-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 WO disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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 (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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 ALDH1A1 48/4885MAPT 2231/4885TDP1 417/4885
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 ALDH1A1 3056/4885MAPT 4267/4885TDP1 1328/4885

“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.