SCHEMBL2545241

SCHEMBL2545241

c1cc(CNc2ccc3[nH]cnc3c2)c2c(c1)OCCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4C Q9H3R0 2/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MTNR1A P48039 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
QPCT Q16769 5/20 0.37
CXCR2 P25025 1/20 0.37
PROKR2 Q8NFJ6 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2547507 0.79 QPCT (0.38) KDM1AMAOAMAOBROCK2ROCK1
SCHEMBL2539436 0.73 MAPT (0.56) MAOBMAPTGAAQPCTCYP3A4
SCHEMBL2546756 0.72 HAO1 (0.40) MAPTRAB9AGAAQPCTKDM4E
SCHEMBL18669149 0.71 QPCT (0.44) ROCK2ROCK1MAPTRAB9AGAA
SCHEMBL29339051 0.70 CHEK2 (0.43) MAPTRAB9AQPCTKDM4ENPC1
SCHEMBL2538625 0.70 IP6K1 (0.63) MAPTRAB9AQPCTCYP2D6KDM4E
SCHEMBL2456827 0.70 KDM4C (0.40) KDM1AMAOAMAOBKDM4CROCK2
SCHEMBL1253655 0.69 MTNR1A (0.59) KDM1AMAOAMAOBKDM4CROCK2
SCHEMBL2543223 0.68 IP6K1 (0.47) RAB9AQPCTNPC1EGFRIP6K1
SCHEMBL2546278 0.68 QPCT (0.46) MAPTRAB9AGAAQPCTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS KDM1A 932/4885MAOA 1019/4885MAOB 1094/4885

“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.