SCHEMBL6100110

SCHEMBL6100110

CNCc1cn(CI)c2c(Cl)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.35
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A3 Q01959 4/20 0.35
▸ AKR1A1 P14550 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ IFNAR1 P17181 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ HTR2A P28223 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL1092203 0.80 PTGS2 (0.43) SLC6A4SLC6A2SLC6A3IFNAR1TAAR1
SCHEMBL1092687 0.66 PTGS2 (0.41) IFNAR1HRH1SLC5A2CYP1A2CYP2A6
SCHEMBL13886573 0.65 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3TAAR1HTR2A
SCHEMBL1093363 0.65 PTGS2 (0.61) IFNAR1HTR2A
SCHEMBL1093791 0.65 PTGS2 (0.40) SLC6A4SLC6A2IFNAR1TAAR1SLC5A2
SCHEMBL3001718 0.64 PNMT (0.56) SLC6A4SLC6A2SLC6A3TAAR1HTR2A
Hydrochloric Acid SCHEMBL6252762 0.64 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3TAAR1HTR2A
SCHEMBL1092646 0.64 CYP19A1 (0.51) CYP19A1
SCHEMBL1093724 0.64 CHRNB2 (0.62) CYP19A1
SCHEMBL29355799 0.64 CHRNB2 (0.62) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 — — US disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 — — 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-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 SLC6A4 4631/4885SLC6A2 4451/4885SLC6A3 4415/4885

“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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