SCHEMBL31045073

SCHEMBL31045073

CCc1nc(NCCCc2ccc(-c3ccc(OC)cc3)cc2)c2cc(C)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ ACP1 P24666 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SYK P43405 4/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL31045249 0.97 RAB9A (0.44) PTGDRNPC1RAB9AGALR3NR2F2
SCHEMBL5432174 0.91 RAB9A (0.50) PTGDRNPC1RAB9AGALR3NR2F2
SCHEMBL31045078 0.89 KCNH2 (0.40) PTGDRNPC1RAB9AGALR3NR2F2
SCHEMBL31044704 0.89 TRIM58 (0.40) NPC1RAB9AGALR3NR2F2ACP1
SCHEMBL31044664 0.88 NPC1 (0.37) NPC1RAB9AGALR3NR2F2MEN1
SCHEMBL31044903 0.88 PRKCI (0.44) NPC1RAB9AGALR3NR2F2ACP1
SCHEMBL31044877 0.88 ALDH1A1 (0.40) NPC1RAB9AGALR3NR2F2MEN1
SCHEMBL31044841 0.88 NPC1 (0.35) PTGDRNPC1RAB9AGALR3NR2F2
SCHEMBL31045439 0.86 NPC1 (0.40) NPC1RAB9AGALR3NR2F2
SCHEMBL31044752 0.86 NFKB1 (0.40) PTGDRNPC1RAB9AGALR3NR2F2

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 PTGDR 1915/4885NPC1 626/4885RAB9A 1838/4885

“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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