SCHEMBL7873104

SCHEMBL7873104

O=C=NC(CI)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
KCNN4 O15554 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL132502 0.78 KIF11 (0.31)
SCHEMBL28027917 0.77 CYP2C19 (0.36) CYP2C19HIF1ATSHRALDH1A1
Water SCHEMBL11440384 0.77
SCHEMBL692189 0.76 KIF11 (0.32)
SCHEMBL11152541 0.73 KIF11 (0.34)
SCHEMBL7598482 0.72 MIF (0.33)
SCHEMBL129231 0.72 KCNN4 (0.36) PTPN1CYP2C19HIF1ATSHRKCNN4
SCHEMBL15413 0.72 KCNN4 (0.36) PTPN1CYP2C19HIF1ATSHRKCNN4
SCHEMBL1149592 0.72 KCNN4 (0.36) PTPN1CYP2C19HIF1ATSHRKCNN4
SCHEMBL3517726 0.72 KCNN4 (0.36) PTPN1CYP2C19HIF1ATSHRKCNN4

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-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 PTPN1 3897/4885CYP2C19 4317/4885HIF1A 3057/4885

“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.