SCHEMBL12845374

SCHEMBL12845374

O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.60
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GLA P06280 1/20 0.58
ANO1 Q5XXA6 1/20 0.57
MEN1 O00255 1/20 0.56
STAT3 P40763 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC1 Q13547 3/20 0.55
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
CCKBR P32239 1/20 0.52

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
SCHEMBL28374001 0.95 GLA (0.62) HRH3MAPTALDH1A1GLAANO1
SCHEMBL12782281 0.88 MAPT (0.61) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL7807900 0.84 HRH3 (0.67) HRH3MAPTALDH1A1GLAMEN1
SCHEMBL31218207 0.84 HRH3 (0.67) HRH3MAPTALDH1A1GLAMEN1
SCHEMBL27333111 0.83 HRH3 (0.67) HRH3MAPTALDH1A1GLAMEN1
SCHEMBL18229461 0.82 HRH3 (0.65) HRH3MAPTALDH1A1GLAMEN1
SCHEMBL11189753 0.82 HRH3 (0.67) HRH3MAPTALDH1A1GLAMEN1
SCHEMBL18229442 0.82 HRH3 (0.69) HRH3MAPTALDH1A1MEN1STAT3
SCHEMBL28167913 0.81 ALDH1A1 (0.64) HRH3MAPTALDH1A1GLAANO1
SCHEMBL12845369 0.81 HRH3 (0.54) HRH3MAPTMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 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 (2 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-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 HRH3 3525/4885MAPT 1277/4885ALDH1A1 4018/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 HRH3 3525/4885MAPT 1277/4885ALDH1A1 4018/4885

“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.