SCHEMBL5905723

SCHEMBL5905723

CCCc1ccc(Sc2ccccc2N=C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ DHFR P00374 1/20 0.34
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ NR2F2 P24468 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ KLF5 Q13887 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ MGLL Q99685 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
SCHEMBL28475405 0.85 HPGD (0.41) CYP3A4SLC6A4SLC6A2SLC6A3KIF11
SCHEMBL19712993 0.83 HTR2C (0.34) CYP3A4SLC6A4KIF11GABRA1GABRB2
SCHEMBL624408 0.80 CYP3A4 (0.44) CYP3A4HPGD
SCHEMBL19712977 0.79 GABRA1 (0.41) CYP3A4SLC6A4SLC6A2SLC6A3GABRA1
SCHEMBL484026 0.79 CYP3A4 (0.40) CYP3A4SLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL30568788 0.79 CYP3A4 (0.40) CYP3A4SLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL28481093 0.78 HPGD (0.40) CYP3A4DHFRSLC6A4SLC6A2SLC6A3
SCHEMBL10979160 0.77 GABRA1 (0.39) CYP3A4SLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL17847456 0.77 CYP3A4 (0.41) CYP3A4HPGD
SCHEMBL5905719 0.77 DHFR (0.40) CYP3A4DHFRSLC6A4SLC6A2SLC6A3

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-20060111342-A1 Insecticidal tricyclic derivatives BAYER CROPSCIENCE AG (DE) 2006-05-25 — — US disclosed
EP-1538906-A2 INSECTICIDAL TRICYCLIC DERIVATIVES FMC CORPORATION (US) 2005-06-15 — — EP disclosed
WO-2004026030-A2 INSECTICIDAL TRICYCLIC DERIVATIVES FMC CORPORATION (US) 2004-04-01 — — 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-20060111342-A1 Insecticidal tricyclic derivatives DDT, ACHE, ODC1 CYP3A4 395/4885DHFR 1132/4885SLC6A4 2923/4885

“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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