SCHEMBL21889017

SCHEMBL21889017

CN1CNC(=O)c2c1nc(S)n2Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TYMS P04818 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ STAT6 P42226 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL19505327 0.67 HTT (0.35) LMNAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL16028820 0.64 ATM (0.71) LMNAMAPTPOLBATMAPOBEC3G
SCHEMBL9681986 0.62 NPSR1 (0.50) LMNAMAPTPOLBRAB9AGALR3
SCHEMBL17814738 0.62 TNF (0.42) LMNAMAPTPOLBRAB9AGALR3
SCHEMBL9701321 0.62 TBXA2R (0.53) LMNAMAPTRAB9AGALR3NR2F2
SCHEMBL21389540 0.61 BRD4 (0.62) MAPTPOLBATMAPOBEC3GSMN1; SMN2
SCHEMBL11719377 0.61 P2RX3 (0.54) LMNAMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL17814735 0.61 PNP (0.57) KMT2A
SCHEMBL9682976 0.61 NOD1 (0.40) LMNAMAPTPOLBRAB9AGALR3
SCHEMBL6674154 0.60 GRM2 (0.36) LMNAPOLBATMSMN1; SMN2KDM4E

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-10617723-B2 C. novyi for the treatment of solid tumors in humans BIOMED VALLEY DISCOVERIES, INC. (US) 2020-04-14 — — 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-10617723-B2 C. novyi for the treatment of solid tumors in humans HCCS, MKI67, PBK LMNA 2128/4885MAPT 4509/4885POLB 2192/4885

“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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