SCHEMBL50623

SCHEMBL50623

CC(=O)NCCc1nc(C)co1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.43
MTNR1B P49286 7/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.41
F13A1 P00488 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
NQO2 P16083 2/20 0.38

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
SCHEMBL50418 0.82 CCNE2 (0.45) MTNR1AMTNR1BHTTKDM4EF13A1
SCHEMBL2552253 0.79 HTT (0.52) HTTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL17918748 0.77 TAAR1 (0.33) KDM4EALDH1A1LMNAMAPT
SCHEMBL26102639 0.71 KDM4E (0.39) MTNR1AMTNR1BHTTKDM4EF13A1
SCHEMBL22482074 0.71 MTNR1A (0.46) MTNR1AMTNR1BKDM4EF13A1QPCT
SCHEMBL50579 0.70 CCNE2 (0.46) MTNR1AMTNR1BKDM4EF13A1QPCT
SCHEMBL12380047 0.69 ALOX15 (0.39) HTTKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL7220481 0.69 L3MBTL1 (0.44) HTTALDH1A1CYP1A2SMN1; SMN2MAPT
Benzene SCHEMBL6105537 0.68 NR4A2 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL14562253 0.68 NPSR1 (0.56) MTNR1AMTNR1BHTTKDM4EF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B MTNR1A 3513/4885MTNR1B 3757/4885HTT 2184/4885

“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.