SCHEMBL31044957

SCHEMBL31044957

COc1cccc(CCCNc2nc(C(F)(F)F)nc3sc(C)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ CCNE2 O96020 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL31045320 0.90 MEN1 (0.43) MEN1KMT2ARAB9ACLK1NPC1
SCHEMBL31044836 0.89 KMT2A (0.39) MEN1KMT2ARAB9ANPC1GALR3
SCHEMBL31044650 0.88 ADRA2C (0.44) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL31044780 0.88 CCNE2 (0.48) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL20667981 0.88 TLR7 (0.46) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL31045380 0.88 TLR7 (0.46) MEN1KMT2ACCNE2CCNE1CDK2
SCHEMBL31044716 0.87 MEN1 (0.38) MEN1KMT2ARAB9ANPC1GALR3
SCHEMBL5435521 0.87 MTNR1A (0.46) MTNR1AMTNR1BRAB9ACLK1NPC1
SCHEMBL31044775 0.86 TLR7 (0.41) MEN1KMT2ARAB9ANPC1GALR3
SCHEMBL31045136 0.85 TLR7 (0.39) MEN1KMT2ARAB9ANPC1GALR3

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 MEN1 2584/4885KMT2A 4333/4885MTNR1A 3704/4885

“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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