SCHEMBL25055359

SCHEMBL25055359

Oc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 9/20 0.74
▸ HSD17B1 P14061 2/20 0.56
▸ HSD17B2 P37059 2/20 0.56
▸ NOTUM Q6P988 1/20 0.56
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ BCHE P06276 1/20 0.49
▸ LDHA P00338 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL30987381 0.88 BCHE (0.62) MIFNOTUMCA12CA1CA2
SCHEMBL30987390 0.86 MIF (0.55) MIFHSD17B1HSD17B2NOTUMCA12
SCHEMBL30987377 0.86 MIF (0.55) MIFNOTUMCA12CA1CA2
SCHEMBL17980780 0.85 MIF (1.00) MIFHSD17B1HSD17B2NOTUMCA12
SCHEMBL30987393 0.82 ABCG2 (0.57) MIFNOTUMCA12CA1CA2
SCHEMBL3270459 0.79 NOTUM (0.57) MIFNOTUMCA12CA1CA2
SCHEMBL30987379 0.78 NOTUM (0.50) MIFHSD17B1HSD17B2NOTUMCA12
SCHEMBL30987376 0.78 CA2 (0.51) MIFHSD17B1HSD17B2NOTUMCA12
SCHEMBL23557635 0.76 MIF (0.54) MIFHSD17B1HSD17B2CA1CA2
SCHEMBL23086229 0.75 HSD17B1 (0.74) MIFHSD17B1HSD17B2CA12CA1

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-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 — — 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 MIF 1/4885HSD17B1 730/4885HSD17B2 696/4885

“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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