SCHEMBL3629431

SCHEMBL3629431

C=CC(c1ccccc1)n1cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MET P08581 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10374290 0.73 — —
SCHEMBL3993851 0.70 MET (0.45) HPGDGAAMET
SCHEMBL9613770 0.70 KDM4E (0.43) CYP17A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29078122 0.67 CYP17A1 (0.51) CYP17A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL5326678 0.65 BRD4 (0.36) MAPTCYP2C19LMNAALDH1A1
SCHEMBL10399939 0.65 CYP17A1 (0.42) CYP17A1KDM4EGAA
SCHEMBL7359011 0.65 CYP17A1 (0.42) CYP17A1KDM4ECYP2C19GAAALDH1A1
SCHEMBL9335255 0.65 POLB (0.42) CYP17A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2579537 0.64 CYP2D6 (0.48) CYP17A1KDM4EMAPTCYP3A4CYP2C19
SCHEMBL15746741 0.63 CYP17A1 (0.38) CYP17A1KDM4EMAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725305-B Melanocortin-1 receptor-specific cyclic peptides 帕拉丁科技公司 2016-08-24 — — CN disclosed
US-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 — — US disclosed
US-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2012-12-20 — — US disclosed
US-7674811-B2 5-lipoxygenase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-09 — — US disclosed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 — — US disclosed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 — — EP disclosed
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-01-24 — — US disclosed
EP-1834953-A1 Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors Ranbaxy Laboratories Limited (IN) 2007-09-19 — — EP disclosed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 — — WO disclosed
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 — — US disclosed
US-6403805-B1 SUCH AS 1-((1-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL) CYCLOPROPYL)METHYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE FOR ALLERGIES, ATOPIC AND INFLAMMATORY DISEASES WHEREIN ACTIVITY OF PHOSPHODIESTERASE IS ALTERED JANSSEN PHARMACEUTICA N.V. (BE) 2002-06-11 — — US disclosed
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2002-06-06 — — US disclosed
EP-0819122-B1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2002-03-06 — — EP disclosed
EP-1068194-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-17 — — EP disclosed
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 — — US disclosed
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 — — US disclosed
US-5994376-A PHOSPHODIESTERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 1999-11-30 — — US disclosed
WO-1999050262-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 — — WO disclosed
EP-0819122-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1998-01-21 — — EP disclosed
WO-1996031485-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDEIV AND CYTOKINE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-10 — — 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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D CYP17A1 4538/4885KDM4E 3376/4885MAPT 2612/4885
US-20020068830-A1 1,3-DIHYDRO-1-(PHENYLALKYL)-2H-IMIDAZOL-2-ONE DERIVATIVES HRH2, CBR1, HRH1 CYP17A1 396/4885KDM4E 2378/4885MAPT 4790/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D CYP17A1 4538/4885KDM4E 3376/4885MAPT 2612/4885
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS ALOX5, ALOX15B, ALOX15 CYP17A1 178/4885KDM4E 2213/4885MAPT 3563/4885

“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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