SCHEMBL17832306

SCHEMBL17832306

O=Cc1cnc(N2CCCN(c3ccc(OC(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNA5 P22460 1/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
SCN9A Q15858 2/20 0.39
MAP4K1 Q92918 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL17832326 0.96 KCNA5 (0.44) MAPTTRIM24TRIM33ALDH1A1KDM4E
SCHEMBL17832212 0.84 FFAR4 (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL19627318 0.83 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17832319 0.81 BCHE (0.44) MAPTTRIM24TRIM33ALDH1A1KDM4E
SCHEMBL17832206 0.80 ACACB (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17832256 0.80 ACACB (0.44)
SCHEMBL17832260 0.80 EPHX2 (0.47) SCN9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL17832257 0.80 SCN9A (0.44) MAPTKMT2ASCN9AHDAC3HDAC4
SCHEMBL17832258 0.79 DHFR (0.48) MAPTTRIM24TRIM33ALDH1A1KDM4E
SCHEMBL17832311 0.79 MAPT (0.54) MAPTKCNA5SCN9AMAP4K1

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-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
WO-2016091207-A1 NITROMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG MANUFACTURING 上海阳帆医药科技有限公司 2016-06-16 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 MAPT 1124/4885TRIM24 2200/4885TRIM33 2647/4885

“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.