SCHEMBL578233

SCHEMBL578233

O=C(O)c1ccc2c(c1)C[N]C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SRD5A2 P31213 4/20 0.50
SRD5A1 P18405 3/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
BLM P54132 1/20 0.45
GRM1 Q13255 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL3122135 0.85 ALDH1A1 (0.59) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL3946706 0.85 ALDH1A1 (0.59) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL577166 0.77 CA1 (0.50) ALDH1A1KDM4EMAPTTDP1MAPK1
SCHEMBL9477896 0.76 ALDH1A1 (0.83) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL6901141 0.76 SRD5A2 (0.66) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL27506 0.74 SRD5A2 (0.81) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
Hydrochloric Acid SCHEMBL10587733 0.74 ALDH1A1 (0.80) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8922281 0.74 SRD5A2 (0.63) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL31456551 0.74 SRD5A2 (0.81) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL577461 0.73 PDK2 (0.43) ALDH1A1MAPTCYP2C19KMT2ATP53

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-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885SRD5A2 1374/4885SRD5A1 930/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885SRD5A2 1374/4885SRD5A1 930/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885SRD5A2 1374/4885SRD5A1 930/4885

“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.