SCHEMBL13101474

SCHEMBL13101474

[CH2-][NH+]1N=NC(c2ccc(Cl)cc2Cl)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
HSD11B1 P28845 3/20 0.39
RAB9A P51151 4/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TP53 P04637 3/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL13101477 0.86 HTR2B (0.39) RAB9AALDH1A1TP53TSHRHSD17B10
SCHEMBL13101419 0.74 CYP1A2 (0.33) AHRRAB9ANPC1LMNACYP1A2
SCHEMBL13101415 0.72 NOTUM (0.40) RAB9AALDH1A1KDM4EGAATP53
SCHEMBL13101475 0.72 NOTUM (0.40) TSHR
SCHEMBL13101423 0.70 AHR (0.45) AHRRAB9AALDH1A1KDM4ENPC1
SCHEMBL29624840 0.67 AHR (0.64) AHRHSD11B1RAB9AHSP90AA1HSP90AB1
SCHEMBL464507 0.67 AHR (0.64) AHRHSD11B1RAB9AHSP90AA1HSP90AB1
SCHEMBL8042985 0.64 AHR (0.41) AHRHSD11B1RAB9AHSP90AA1HSP90AB1
SCHEMBL13101504 0.63 CYP2A6 (0.36) ALDH1A1
SCHEMBL11423973 0.62 AHR (0.57) AHRHSD11B1RAB9AALDH1A1TP53

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 AHR 1416/4885HSD11B1 802/4885RAB9A 1621/4885

“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.