SCHEMBL23588362

SCHEMBL23588362

CCC(F)c1cc(F)ccc1NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
HTR2A P28223 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
NCOR2 Q9Y618 2/20 0.31
GAA P10253 2/20 0.31
IDO1 P14902 1/20 0.31
AGXT P21549 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HTT P42858 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
SCHEMBL24656100 0.80 PKM (0.35) PKMHTR2A
Hydrochloric Acid SCHEMBL30568468 0.79 CA1 (0.34) PKMMAPTCA1CA2CA9
SCHEMBL25002472 0.78 PKM (0.43) PKMMAPTSMN1; SMN2POLBRECQL
SCHEMBL19976867 0.75 PKM (0.36) PKMHTR2AMAPTSMN1; SMN2POLB
SCHEMBL18556892 0.71 PKM (0.33) PKMMAPTSMN1; SMN2POLBHDAC3
SCHEMBL24656034 0.70 PKM (0.33) PKMHTR2AMAPTSMN1; SMN2
SCHEMBL4288310 0.69 ALDH1A1 (0.42) MAPTSMN1; SMN2CA1CA2CA9
SCHEMBL182042 0.68 CA1 (0.53) PKMMAPTSMN1; SMN2CA1CA2
SCHEMBL29471763 0.68 CA1 (0.53) PKMMAPTSMN1; SMN2CA1CA2
SCHEMBL15360269 0.67 ALDH1A1 (0.38) PKMMAPTSMN1; SMN2CA1CA2

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-20210253525-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-08-19 US disclosed
US-20210196678-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-07-01 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 (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-20210253525-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, AHR, BRDT PKM 2856/4885HTR2A 214/4885MAPT 407/4885
US-20210196678-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, BRCA1, FSHR PKM 2820/4885HTR2A 337/4885MAPT 283/4885

“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.