SCHEMBL13101433

SCHEMBL13101433

[CH2-][NH+]1N=NC(c2ccccc2C(F)(F)F)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
HSD11B1 P28845 5/20 0.41
PSMB8 P28062 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HPGD P15428 1/20 0.34
AR P10275 1/20 0.34
TRPA1 O75762 1/20 0.34
KMO O15229 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL13101431 0.79 NOTUM (0.37) NOTUMALDH1A1MAPK1
SCHEMBL13101432 0.75 CYP2A6 (0.38) NOTUMHSD11B1CYP3A4CYP1A2ALDH1A1
SCHEMBL197671 0.70 HSD11B1 (0.56) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL29010139 0.68 HSD11B1 (0.54) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
SCHEMBL8022901 0.68 HSD11B1 (0.54) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
SCHEMBL8390213 0.67 NOTUM (0.44) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
SCHEMBL8042676 0.67 HSD11B1 (0.42) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
SCHEMBL29265404 0.66 HSD11B1 (0.44) NOTUMHSD11B1PSMB8CYP3A4CYP1A2
SCHEMBL6344165 0.64 PIK3R1 (0.50) NOTUMHSD11B1CYP3A4CYP1A2ALDH1A1
SCHEMBL10367247 0.64 S1PR1 (0.49) NOTUMHSD11B1CYP3A4CYP1A2ALDH1A1

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 3650/4885HSD11B1 802/4885PSMB8 1499/4885

“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.