SCHEMBL326336

SCHEMBL326336

COc1ccc(Cn2c(SC)nc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
PROKR1 Q8TCW9 2/20 0.45
PROKR2 Q8NFJ6 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
DCTPP1 Q9H773 2/20 0.44
KMT2A Q03164 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
SLC29A1 Q99808 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 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
SCHEMBL10254261 0.89 PROKR1 (0.53) MAPTPROKR1PROKR2DCTPP1ALDH1A1
SCHEMBL325288 0.85 PROKR1 (0.54) MAPTSMN1; SMN2PROKR1PROKR2ALDH1A1
SCHEMBL326197 0.85 PROKR1 (0.60) MAPTPROKR1PROKR2ALDH1A1
SCHEMBL326653 0.84 PROKR1 (0.55) MAPTSMN1; SMN2PROKR1PROKR2KMT2A
SCHEMBL8280056 0.81 PROKR1 (0.57) SMN1; SMN2PROKR1PROKR2DCTPP1
SCHEMBL325491 0.78 PROKR1 (0.76) PROKR1PROKR2
SCHEMBL10254322 0.76 PROKR1 (0.42) SMN1; SMN2PROKR1PROKR2L3MBTL1ALDH1A1
SCHEMBL325883 0.75 PROKR1 (0.47) MAPTSMN1; SMN2PROKR1PROKR2KMT2A
SCHEMBL10254173 0.75 MAPT (0.50) MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL325602 0.75 P2RX3 (0.49) PROKR1PROKR2KMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585068-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
EP-1869006-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-26 EP disclosed
EP-1866290-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2007-12-19 EP disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 US disclosed
WO-2006104715-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
WO-2006104713-A1 PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 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 (5 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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR MAPT 4073/4885SMN1; SMN2 2454/4885KCNJ1 2925/4885
US-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR MAPT 4202/4885SMN1; SMN2 2677/4885KCNJ1 3038/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR MAPT 4202/4885SMN1; SMN2 2677/4885KCNJ1 3038/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR MAPT 4644/4885SMN1; SMN2 2519/4885KCNJ1 2018/4885
US-20120245077-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR MAPT 4644/4885SMN1; SMN2 2519/4885KCNJ1 2018/4885

“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.