SCHEMBL13645785

SCHEMBL13645785

CCCCCCCCCCCCCCCCCCCNC(=N)NCCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.69
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
BLM P54132 1/20 0.59
HTR2A P28223 2/20 0.56
IDO1 P14902 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR1A P08908 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MMP9 P14780 1/20 0.53
AANAT Q16613 1/20 0.53
SIRT1 Q96EB6 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
SCHEMBL20648028 0.88 MTNR1A (0.69) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL13645780 0.84 TRPV1 (0.71) MEN1KMT2ALMNACYP1A2BLM
SCHEMBL1726381 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL22411429 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL14907395 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL7022564 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1727120 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1726285 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1725374 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2
SCHEMBL1724670 0.83 HTR2A (0.71) MTNR1AMEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 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-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C MTNR1A 1889/4885MEN1 3072/4885KMT2A 121/4885

“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.