SCHEMBL4327005

SCHEMBL4327005

O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
PTGS1 P23219 10/20 0.62
PTGS2 P35354 8/20 0.62
TRPV1 Q8NER1 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SIRT1 Q96EB6 2/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57
SNCA P37840 1/20 0.56
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL4335398 0.88 NPC1 (0.75) MTNR1AMTNR1BPTGS1PTGS2TRPV1
SCHEMBL9935308 0.86 SNCA (0.74) MTNR1AMTNR1BPTGS1PTGS2TRPV1
SCHEMBL4325288 0.86 MTNR1A (0.61) MTNR1AMTNR1BPTGS1PTGS2TRPV1
SCHEMBL4330537 0.85 MTNR1A (0.60) MTNR1AMTNR1BPTGS1PTGS2TRPV1
SCHEMBL5341652 0.85 MEN1 (0.73) MTNR1AMTNR1BTRPV1MEN1KMT2A
SCHEMBL15145341 0.81 PTGS1 (0.76) PTGS1PTGS2TRPV1MEN1KMT2A
SCHEMBL15145365 0.81 PTGS1 (0.79) PTGS1PTGS2TRPV1MEN1KMT2A
SCHEMBL11080741 0.80 MTNR1A (0.78) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL28648968 0.80 MEN1 (0.69) PTGS1PTGS2MEN1KMT2ASIRT1
SCHEMBL6919750 0.79 MTNR1A (1.00) MTNR1AMTNR1BMEN1KMT2ARAB9A

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-20090054235-A1 Benzoheterocyclylethylbenzamide derivatives BAYER CROPSCIENCE AG (DE) 2009-02-26 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-20090054235-A1 Benzoheterocyclylethylbenzamide derivatives CYP51A1, CBR3, ERG28 MTNR1A 4329/4885MTNR1B 3409/4885PTGS1 3926/4885

“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.