SCHEMBL2895076

SCHEMBL2895076

COc1cc[c]c(NC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
IKBKB O14920 2/20 0.41
F10 P00742 1/20 0.41
NR3C2 P08235 2/20 0.40
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37

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
SCHEMBL6883224 0.85 HTT (0.46) MEN1KMT2ASMN1; SMN2TSHRLMNA
SCHEMBL891381 0.83 LMNA (0.42) KMT2ASMN1; SMN2TSHRNPSR1LMNA
SCHEMBL891352 0.81 TRPM8 (0.40) MEN1KMT2ATSHRALDH1A1
SCHEMBL17923426 0.78 AAK1 (0.41) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL891356 0.78 TAS1R3 (0.40) KMT2AALDH1A1NPC1RAB9A
SCHEMBL891260 0.78 AAK1 (0.40) KMT2AALDH1A1
SCHEMBL9809965 0.77 KIF11 (0.42) PARP1NR3C2MEN1KMT2AALDH1A1
SCHEMBL18554580 0.75 PARP1 (0.50) PARP1IKBKBCA1CA2PARP10
SCHEMBL7063953 0.75 DDX3X (0.36) IKBKBMEN1KMT2ALMNAALDH1A1
SCHEMBL4838147 0.74 CA1 (0.35) MEN1KMT2ACA1CA2TSHR

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-7671027-B2 Use of GnRH agonists to support the luteal phase during infertility treatment PREGLEM S.A. (CH) 2010-03-02 US disclosed
US-7655658-B2 Use of in the treatment of melanocortin receptor-associated disorders such as in treatment of anorexia, as a weight gain aid, for treatment of obesity PALATIN TECHNOLOGIES, INC. (US) 2010-02-02 US disclosed
EP-1578427-B1 USE OF GNRH AGONISTS TO SUPPORT THE LUTEAL PHASE DURING INFERTILITY TREATMENT PREGLEM SA (CH) 2009-03-04 EP disclosed
US-20060069031-A1 Use of gnrh agonists to support the luteal phase during infertility treatment PREGLEM S.A. (CH) 2006-03-30 US disclosed
EP-1578427-A1 USE OF GNRH AGONISTS TO SUPPORT THE LUTEAL PHASE DURING INFERTILITY TREATMENT Loumaye, Ernest (FR) 2005-09-28 EP disclosed
US-20050124636-A1 Thieno [2,3-D]pyrimidine-2,4-dione melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2005-06-09 US disclosed
WO-2004058269-A9 USE OF GNRH AGONISTS TO SUPPORT THE LUTEAL PHASE DURING INFERTILITY TREATMENT LOUMAYE ERNEST (FR) 2004-09-23 WO disclosed
WO-2004058269-A1 USE OF GNRH AGONISTS TO SUPPORT THE LUTEAL PHASE DURING INFERTILITY TREATMENT LOUMAYE ERNEST (FR) 2004-07-15 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 (1 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-20050124636-A1 Thieno [2,3-D]pyrimidine-2,4-dione melanocortin-specific compounds MC1R, MC5R, MC4R PARP1 2440/4885IKBKB 4061/4885F10 4091/4885

“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.