SCHEMBL17832305

SCHEMBL17832305

N#CC1(c2ccc(OC(F)(F)F)cc2)CCN(c2ncc(C=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCD O00767 1/20 0.47
KIT P10721 1/20 0.41
MLYCD O95822 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 2/20 0.36
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17832321 0.88 SCD (0.52) MEN1KMT2ASCDKITMLYCD
SCHEMBL17832207 0.84 MCHR1 (0.46) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL17832327 0.82 MAPT (0.38) KITHDAC3HDAC4HDAC1HDAC7
SCHEMBL17832212 0.78 FFAR4 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17832326 0.78 KCNA5 (0.44) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL17832306 0.75 MAPT (0.43) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2537204 0.74 MEN1 (0.56) MEN1KMT2ASCDKITMAPT
SCHEMBL17832257 0.74 SCN9A (0.44) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL17832260 0.74 EPHX2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19627318 0.73 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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 MEN1 1404/4885KMT2A 3265/4885SCD 3804/4885

“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.