SCHEMBL19450970

SCHEMBL19450970

CC[C@@H](C)CCn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.52
CYP19A1 P11511 4/20 0.50
EGLN3 Q9H6Z9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKCI P41743 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
QPCT Q16769 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL27724975 1.00 TBXAS1 (0.52) TBXAS1CYP19A1EGLN3KDM4EALDH1A1
Bicarbonate SCHEMBL28981668 0.92 TBXAS1 (0.56) TBXAS1CYP19A1EGLN3ALDH1A1LMNA
SCHEMBL11959516 0.89 TBXAS1 (0.58) TBXAS1CYP19A1KDM4EPRKCIQPCT
SCHEMBL28694303 0.87 TBXAS1 (0.55) TBXAS1CYP19A1EGLN3KDM4EALDH1A1
SCHEMBL18873533 0.86 TBXAS1 (0.64) TBXAS1
SCHEMBL23948110 0.84 TBXAS1 (0.61) TBXAS1CYP19A1KDM4EPRKCIQPCT
SCHEMBL1223641 0.82 TBXAS1 (0.64) TBXAS1CYP19A1PRKCIQPCT
SCHEMBL439530 0.82 TBXAS1 (0.56) TBXAS1CYP19A1EGLN3PRKCIALOX15
SCHEMBL7285764 0.81 CYP19A1 (0.47) TBXAS1CYP19A1EGLN3PRKCIALOX15
SCHEMBL2232319 0.81 TBXAS1 (0.67) TBXAS1CYP19A1QPCT

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-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-10-19 US disclosed
US-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-10-12 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 (2 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-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 TBXAS1 3406/4885CYP19A1 121/4885EGLN3 592/4885
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES PFAS, FKBP2, FKBP14 TBXAS1 3633/4885CYP19A1 71/4885EGLN3 549/4885

“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.