SCHEMBL18824196

SCHEMBL18824196

CN(C)CCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFSF11 O14788 3/20 0.53
▸ TNF P01375 5/20 0.52
▸ PLK1 P53350 1/20 0.51
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HTR6 P50406 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ HTR1F P30939 2/20 0.45
▸ HTR7 P34969 2/20 0.45

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
SCHEMBL19194701 0.79 LMNA (0.71) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL17422835 0.79 KMT2A (0.73) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL21274665 0.76 AKR1C3 (0.56) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL2422505 0.72 CYP1A2 (0.52) CYP1A2ALDH1A1HPGDALOX12MEN1
SCHEMBL18824272 0.71 TNFSF11 (0.53) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL16619008 0.71 PLK1 (0.55) PLK1AKR1C3AKR1C1HTR6ALDH1A1
SCHEMBL8998767 0.70 PLK1 (0.74) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL946621 0.70 LMNA (0.71) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL27622286 0.70 AKR1C3 (0.57) TNFSF11TNFPLK1AKR1C3AKR1C1
SCHEMBL9157388 0.70 HDAC1 (0.61) ALDH1A1HPGDKMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 TNFSF11 4476/4885TNF 1138/4885PLK1 1454/4885

“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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