SCHEMBL31044785

SCHEMBL31044785

Cc1cc2c(NCCCc3ccc(-c4ccc(C#N)cc4)cc3)nc(Cl)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ APP P05067 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL31045122 0.89 NPC1 (0.39) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31045255 0.87 TSHR (0.41) TSHRHSD17B10ABCG2NPC1GALR3
SCHEMBL31045112 0.86 TSHR (0.38) TSHRHSD17B10ABCG2NPC1GALR3
SCHEMBL31044961 0.85 SLC6A3 (0.41) TSHRHSD17B10NPC1GALR3NR2F2
SCHEMBL31045066 0.83 NPC1 (0.35) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31044730 0.83 NPC1 (0.39) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31045039 0.83 APP (0.51) APPPDE5AESR1
SCHEMBL31045084 0.82 KCNH2 (0.40) NPC1GALR3NR2F2RAB9AAPP
SCHEMBL31045209 0.82 HRH4 (0.41) TSHRHSD17B10NPC1GALR3NR2F2
SCHEMBL31044756 0.82 USP1 (0.37) ABCG2NPC1GALR3NR2F2RAB9A

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 TSHR 2815/4885HSD17B10 1017/4885ABCG2 862/4885

“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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