SCHEMBL31758552

SCHEMBL31758552

Nc1nnc(-c2ccc(Br)o2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 9/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ GAA P10253 6/20 0.42
▸ MGAM O43451 4/20 0.42
▸ SI P14410 4/20 0.42
▸ MGAM2 Q2M2H8 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ PRNP P04156 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL11364130 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6003588 0.72 KDM4E (0.54) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL1997012 0.71 MGAM (0.53) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL1255687 0.69 FBP1 (0.61) ALDH1A1HSD17B10SMN1; SMN2POLBMAPT
SCHEMBL570555 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL474273 0.67 KDM4E (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL27685325 0.66 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL11364358 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL15827302 0.65 NPC1 (0.45) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL28587679 0.64 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDGAA

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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 — — 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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP9, DPP7, DPP4 ALDH1A1 245/4885KDM4E 3047/4885HSD17B10 172/4885

“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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