SCHEMBL20004334

SCHEMBL20004334

CC(C)c1ccc(C(=O)N(C)CCF)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
CYP2C9 P11712 2/20 0.45
USP5 P45974 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
MLYCD O95822 2/20 0.41
MCHR1 Q99705 1/20 0.40
HDAC1 Q13547 1/20 0.39
DRD2 P14416 1/20 0.38
ESRRG P62508 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FASN P49327 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL24904581 0.87 HPGD (0.47) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL20715645 0.85 HPGD (0.51) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL24713185 0.85 HPGD (0.55) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL20004400 0.82 HDAC6 (0.40) CYP2C9HDAC6MLYCDMCHR1HDAC1
SCHEMBL23962422 0.82 HPGD (0.60) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL22537590 0.82 CYP2C9 (0.47) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL22537874 0.81 CDK4 (0.49) HPGDHDAC6MLYCDMCHR1HDAC1
SCHEMBL10169810 0.81 USP5 (0.47) HPGDCYP2C9USP5HDAC6HDAC1
SCHEMBL23696645 0.81 HPGD (0.48) HPGDCYP2C9USP5EGFRERBB2
SCHEMBL24607682 0.81 HDAC6 (0.49) HPGDCYP2C9USP5EGFRERBB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT HPGD 529/4885CYP2C9 4540/4885USP5 4022/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT HPGD 663/4885CYP2C9 4702/4885USP5 3994/4885

“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.