SCHEMBL31044672

SCHEMBL31044672

CCc1nc(NCCCn2cccc2)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SOD1 P00441 2/20 0.35
▸ PRKCI P41743 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL31044829 0.88 TLR8 (0.43) HSD17B10MAPK1GSK3AGSK3BALDH1A1
SCHEMBL20668004 0.84 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EPRKCIPOLB
SCHEMBL31045119 0.82 TLR8 (0.47) HSD17B10MAPK1ALDH1A1KDM4EMEN1
SCHEMBL31044856 0.82 LMNA (0.42) HSD17B10MAPK1GSK3AGSK3BALDH1A1
SCHEMBL20667921 0.82 KDM4E (0.42) HSD17B10ALDH1A1KDM4EPRKCILMNA
SCHEMBL31045366 0.80 MAPK1 (0.43) HSD17B10MAPK1ALDH1A1KDM4EPRKCI
SCHEMBL20667985 0.80 RAD52 (0.40) HSD17B10MAPK1ALDH1A1KDM4ELMNA
SCHEMBL20667918 0.80 HPGD (0.40) HSD17B10ALDH1A1KDM4ELMNAPOLB
SCHEMBL20667986 0.79 TLR8 (0.41) —
SCHEMBL20659871 0.79 KDM4E (0.37) HSD17B10ALDH1A1KDM4EPRKCILMNA

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 HSD17B10 1017/4885MAPK1 2900/4885GSK3A 2268/4885

“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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