SCHEMBL30730672

SCHEMBL30730672

Cn1ncnc1CC(=O)N1C[C@H]2C[C@@H]1CC2c1nc(-c2ccc(Cl)c(F)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 12/20 0.36
HSD11B1 P28845 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL30730577 1.00 TSHR (0.37) TSHRGAASMN1; SMN2GRM5HSD11B1
SCHEMBL30730509 1.00 TSHR (0.37) TSHRGAASMN1; SMN2GRM5HSD11B1
SCHEMBL30730549 0.89 MAPK1 (0.43) TSHRGRM5HSD11B1LMNAALOX15
SCHEMBL30730556 0.89 CPT1A (0.40) GRM5HSD11B1CPT2CPT1A
SCHEMBL32676986 0.86 GRM2 (0.40) GRM5HCRTR1HCRTR2
SCHEMBL30730495 0.84 GRM5 (0.38) TSHRGAASMN1; SMN2GRM5HSD11B1
SCHEMBL30730538 0.81 TSHR (0.53) TSHRGAASMN1; SMN2LMNAALOX15
SCHEMBL30730705 0.77 GRM5 (0.40) TSHRSMN1; SMN2GRM5
SCHEMBL30730553 0.77 GRM5 (0.40) TSHRSMN1; SMN2GRM5
SCHEMBL30730448 0.76 GRM5 (0.38) GRM5CPT2CPT1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260048047-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE SCRIPPS RESEARCH INST (US) 2026-02-19 US claimed
WO-2024030121-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-08 WO claimed
US-20260048047-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE SCRIPPS RESEARCH INST (US) 2026-02-19 US disclosed
WO-2024030121-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-08 WO 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-20260048047-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE FNTB, PDE7A, TBL3 TSHR 620/4885GAA 2849/4885SMN1; SMN2 4875/4885

“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.