SCHEMBL10254576

SCHEMBL10254576

COc1ccc(Cn2c(/C=C\c3ccncc3)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PDE5A O76074 1/20 0.49
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP1A1 P04798 3/20 0.45

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
SCHEMBL325964 1.00 KDM4E (0.50) KDM4ECYP1A2NPC1HPGDRAB9A
SCHEMBL325963 1.00 KDM4E (0.50) KDM4ECYP1A2NPC1HPGDRAB9A
SCHEMBL10288359 0.78 PDE5A (0.59) KDM4ECYP3A4PDE5AMAPTALDH1A1
SCHEMBL10254906 0.74 PDE5A (0.49) KDM4EPDE5AMAPTALDH1A1LMNA
SCHEMBL4769071 0.73 ALDH1A1 (0.60) KDM4ESMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL325735 0.73 MAPT (0.51) KDM4ESMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL326104 0.72 MAPT (0.50) KDM4ESMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL325145 0.71 ALDH1A1 (0.49) KDM4ESMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL14463668 0.71 ALDH1A1 (0.49) KDM4ESMN1; SMN2PDE5AMAPTALDH1A1
SCHEMBL12158761 0.71 OPRK1 (0.50) NPC1RAB9ASMN1; SMN2PDE5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 — — US disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 — — US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 — — US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 — — US disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 — — WO disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 — — US disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 — — US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 — — US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 — — US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — US disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KDM4E 4866/4885CYP1A2 3611/4885NPC1 1599/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 KDM4E 4828/4885CYP1A2 3333/4885NPC1 2876/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR KDM4E 4866/4885CYP1A2 3611/4885NPC1 1599/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR KDM4E 4853/4885CYP1A2 2416/4885NPC1 2739/4885

“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.

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