SCHEMBL11961835

SCHEMBL11961835

C/N=C\c1cc(OC)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.62
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ CA2 P00918 7/20 0.56
▸ CA1 P00915 5/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ADORA2A P29274 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL11961830 1.00 ERN1 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL18719806 0.87 ERN1 (0.65) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL11852363 0.87 ERN1 (0.65) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL6449043 0.85 ERN1 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL6449044 0.85 ERN1 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL8942744 0.85 ERN1 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL23837615 0.84 CA2 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL15677677 0.84 CA2 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL2313458 0.84 CA2 (0.62) ERN1NPC1RAB9APOLBKMT2A
SCHEMBL14396719 0.84 ERN1 (0.61) ERN1NPC1RAB9APOLBKMT2A

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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 — — 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 ERN1 2108/4885NPC1 2222/4885RAB9A 3522/4885

“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.

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