SCHEMBL19627313

SCHEMBL19627313

O=Cc1ccc(N2CC3CC2CN3c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
LIPE Q05469 16/20 0.38
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL19627319 0.86 LIPE (0.40) HDAC1LIPERXRAGRIN1GRIN2B
SCHEMBL17832243 0.80 CHRM2 (0.44)
SCHEMBL17832273 0.80 CACNA1B (0.40) HDAC1LIPERXRAGRIN1GRIN2B
SCHEMBL17832241 0.79 SGPL1 (0.43)
SCHEMBL17832319 0.78 BCHE (0.44)
SCHEMBL19631087 0.75 EPHX2 (0.44)
SCHEMBL17832291 0.75 EPHX2 (0.44)
SCHEMBL17832250 0.72 ACACB (0.51)
SCHEMBL17832235 0.72 FAAH (0.47)
SCHEMBL17832244 0.72 LCAT (0.44)

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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 HDAC1 661/4885LIPE 4209/4885RXRA 4416/4885

“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.