SCHEMBL632065

SCHEMBL632065

COc1cc(NC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TRPA1 O75762 2/20 0.45
TMPRSS4 Q9NRS4 2/20 0.44
EPHX2 P34913 1/20 0.44
SRC P12931 3/20 0.41
ZAP70 P43403 3/20 0.41
SYK P43405 3/20 0.41
P2RX1 P51575 1/20 0.40
DHFR P00374 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 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
SCHEMBL3950572 1.00 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6TRPA1
SCHEMBL19091527 0.83 TRPA1 (0.53) TRPA1P2RX1LMNAKCNH3ALDH1A1
SCHEMBL1832140 0.82 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6TRPA1
SCHEMBL10037129 0.81 ALDH1A1 (0.52) KMT2AMEN1POLBHTTSMN1; SMN2
SCHEMBL8171173 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL8199952 0.79 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL2200970 0.79 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL17671260 0.79 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL21965833 0.77 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6TMPRSS4
SCHEMBL4763294 0.77 TMPRSS4 (0.57) HDAC3HDAC1HDAC2HDAC6TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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 (3 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 HDAC3 1091/4885HDAC1 1772/4885HDAC2 1977/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 HDAC3 1091/4885HDAC1 1772/4885HDAC2 1977/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R HDAC3 411/4885HDAC1 423/4885HDAC2 458/4885

“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.