SCHEMBL13101477

SCHEMBL13101477

[CH2-][NH+]1N=NC(c2cc(Cl)ccc2Cl)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTPN11 Q06124 2/20 0.35
RAB9A P51151 1/20 0.35
DUSP3 P51452 1/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AGPAT2 O15120 1/20 0.31
PTPN1 P18031 1/20 0.31
S100A4 P26447 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL13101474 0.86 AHR (0.39) ALDH1A1RAB9ATP53TSHRHSD17B10
SCHEMBL13101419 0.74 CYP1A2 (0.33) PTPN11RAB9A
SCHEMBL13101423 0.74 AHR (0.45) IDO1ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL13101475 0.72 NOTUM (0.40) IDO1TSHRCNR2
SCHEMBL13101415 0.72 NOTUM (0.40) IDO1ALDH1A1RAB9ATP53MAPT
SCHEMBL29364307 0.67 TP53 (0.61) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL440944 0.67 TP53 (0.61) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL13101504 0.63 CYP2A6 (0.36) ALDH1A1MAPT
SCHEMBL7574880 0.62 RAB9A (0.60) HTR2BPDE4DIDO1ALDH1A1RXFP1
SCHEMBL2852592 0.60 TP53 (0.57) HTR2BPDE4DIDO1ALDH1A1RXFP1

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-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 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-20100256109-A1 Azetidines As EP2 Antagonists PTGER2, PTGER1, PTGDR2 HTR2B 102/4885PDE4D 1013/4885IDO1 276/4885

“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.