SCHEMBL24211763

SCHEMBL24211763

CC(C)c1ccc(CNNC(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ IDO1 P14902 2/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ F10 P00742 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ GCGR P47871 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL24211854 0.83 F10 (0.50) RAB9ANPC1IDO1L3MBTL1F10
SCHEMBL8399380 0.82 MEN1 (0.51) RAB9ANPC1IDO1MEN1KMT2A
SCHEMBL8198614 0.80 GFER (0.44) IDO1MEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL11369055 0.79 IDO1 (0.50) IDO1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8803756 0.79 IDO1 (0.50) IDO1MEN1KMT2AALDH1A1
SCHEMBL8198612 0.77 CYP2C9 (0.35) RAB9ANPC1F10PRSS1PRSS2
SCHEMBL1736142 0.76 IDO1 (0.46) IDO1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11374590 0.75 IDO1 (0.50) IDO1HTT
Iodide SCHEMBL11371421 0.74 IDO1 (0.45) IDO1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11375197 0.74 CYP3A4 (0.48) IDO1MEN1KMT2AALDH1A1

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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 — — 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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 RAB9A 3202/4885NPC1 4808/4885IDO1 2397/4885

“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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