SCHEMBL31044964

SCHEMBL31044964

CCc1nc(NCCOc2ccc(OC)cc2)c2cc(C)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ CLK1 P49759 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL31044892 0.90 DRD4 (0.39) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL31044753 0.90 PIK3CD (0.41) RAB9ANPC1GALR3NR2F2CLK1
SCHEMBL31045281 0.87 DRD4 (0.41) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL31045156 0.87 GBA1 (0.41) RAB9ANPC1MEN1KMT2ACLK1
SCHEMBL31045249 0.85 RAB9A (0.44) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL20667923 0.85 ALDH1A1 (0.42) RAB9ANPC1GALR3NR2F2KDM4E
SCHEMBL20667918 0.82 HPGD (0.40) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL31045073 0.82 PTGDR (0.44) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL31044998 0.80 RAB9A (0.48) RAB9ANPC1GALR3NR2F2CLK1
SCHEMBL5423687 0.80 RAB9A (0.48) RAB9ANPC1GALR3NR2F2CLK1

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 RAB9A 1838/4885NPC1 626/4885MEN1 2584/4885

“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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