SCHEMBL21606745

SCHEMBL21606745

O=C(CCc1cn(Cc2ccccc2)nn1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.55
HDAC1 Q13547 4/20 0.54
HSP90AB1 P08238 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
GLS O94925 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL1311300 0.80 HDAC1 (0.66) CYP19A1HDAC1HSP90AB1HRH4GLS
SCHEMBL22499185 0.77 TDP1 (0.58) ALDH1A1
SCHEMBL15796691 0.76 HDAC1 (0.53) CYP19A1HDAC1HSP90AB1HRH4GLS
SCHEMBL5052830 0.75 HDAC1 (0.70) CYP19A1HDAC1HSP90AB1HRH4
Acetic Acid SCHEMBL28328685 0.75 CYP19A1 (0.86) CYP19A1HDAC1HSP90AB1HRH4ALDH1A1
SCHEMBL21606709 0.74 HSD11B1 (0.61) HDAC1
SCHEMBL24666587 0.74 CYP19A1 (0.57) CYP19A1HDAC1HSP90AB1HRH4ALDH1A1
SCHEMBL15796670 0.74 HDAC1 (0.77) CYP19A1HDAC1
SCHEMBL15796690 0.73 HDAC1 (0.55) CYP19A1HDAC1HSP90AB1HRH4GLS
SCHEMBL22958941 0.73 HDAC1 (0.65) CYP19A1HDAC1GLS

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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 CYP19A1 3583/4885HDAC1 1564/4885HSP90AB1 2309/4885

“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.