SCHEMBL31044877

SCHEMBL31044877

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PRKCI P41743 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 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
SCHEMBL31045083 0.97 NPC1 (0.39) ALDH1A1FLT3NPC1GALR3NR2F2
SCHEMBL31044866 0.91 NPC1 (0.35) ALDH1A1FLT3NPC1GALR3NR2F2
SCHEMBL31044704 0.91 TRIM58 (0.40) NPC1GALR3NR2F2RAB9A
SCHEMBL31045157 0.90 MCHR1 (0.42) NPC1GALR3NR2F2RAB9APRKCI
SCHEMBL31044903 0.90 PRKCI (0.44) ALDH1A1NPC1GALR3NR2F2RAB9A
SCHEMBL31044664 0.90 NPC1 (0.37) ALDH1A1FLT3NPC1GALR3NR2F2
SCHEMBL31045439 0.88 NPC1 (0.40) ALDH1A1NPC1GALR3NR2F2RAB9A
SCHEMBL31045102 0.88 SLC6A3 (0.40) ALDH1A1NPC1GALR3NR2F2RAB9A
SCHEMBL31045073 0.88 PTGDR (0.44) NPC1GALR3NR2F2RAB9AMEN1
SCHEMBL31044958 0.88 NPC1 (0.36) ALDH1A1FLT3NPC1GALR3NR2F2

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 ALDH1A1 774/4885FLT3 3128/4885NPC1 626/4885

“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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