SCHEMBL4003650

SCHEMBL4003650

COc1ccc2c(c1)c(C(=O)C(=O)O)cn2C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.57
MTNR1A P48039 11/20 0.51
MTNR1B P49286 11/20 0.51
NQO2 P16083 1/20 0.51
NR4A2 P43354 1/20 0.49
ADRB2 P07550 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL7526324 0.91 ALDH1A1 (0.55) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL4406870 0.88 ABCG2 (0.60) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL7384942 0.87 ABCG2 (0.56) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL16312903 0.86 ABCG2 (0.61) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL7284017 0.85 ABCG2 (0.60) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL7985067 0.84 NR4A2 (0.64) ABCG2MTNR1AMTNR1BNQO2NR4A2
SCHEMBL10840363 0.82 ABCG2 (0.52) ABCG2MTNR1AMTNR1BNQO2ADRB2
SCHEMBL29164506 0.80 HTT (0.61) ABCG2MTNR1AMTNR1BNQO2ADRB2
SCHEMBL11092490 0.80 ALDH1A1 (0.54) ABCG2MTNR1AMTNR1BNQO2ADRB2
SCHEMBL4009106 0.79 ALDH1A1 (0.53) NR4A2ALDH1A1KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 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 (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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R ABCG2 417/4885MTNR1A 233/4885MTNR1B 270/4885

“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.