SCHEMBL13101415

SCHEMBL13101415

[CH2-][NH+]1N=NC(c2cccc(Cl)c2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALOX5 P09917 1/20 0.37
IDO1 P14902 5/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MPI P34949 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 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
SCHEMBL13101416 0.79 NOTUM (0.40) NOTUMTP53IDO1TAAR1CHRNB4
SCHEMBL13101419 0.78 CYP1A2 (0.33) NOTUMRAB9ANPC1LMNA
SCHEMBL13101479 0.75 BRD4 (0.33)
SCHEMBL13101475 0.69 NOTUM (0.40) NOTUMTSHRIDO1
SCHEMBL31222672 0.67 ALOX5 (0.65) NOTUMRAB9ASMN1; SMN2NPC1TP53
SCHEMBL817554 0.67 ALOX5 (0.65) NOTUMRAB9ASMN1; SMN2NPC1TP53
SCHEMBL27648776 0.67 NOTUM (0.42) NOTUMRAB9ASMN1; SMN2NPC1TP53
SCHEMBL29629014 0.65 ALOX5 (0.62) NOTUMRAB9ASMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL31070804 0.65 ALOX5 (0.62) NOTUMRAB9ASMN1; SMN2NPC1TP53
Hydrochloric Acid SCHEMBL28332867 0.65 ALOX5 (0.62) NOTUMRAB9ASMN1; SMN2NPC1TP53

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 NOTUM 3650/4885RAB9A 1621/4885SMN1; SMN2 3499/4885

“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.