SCHEMBL18814934

SCHEMBL18814934

CCCC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ KDR P35968 2/20 0.61
▸ CNR2 P34972 1/20 0.58
▸ PDK1 Q15118 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ KCNJ5 P48544 1/20 0.52
▸ KCNJ3 P48549 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GRM4 Q14833 1/20 0.50
▸ TRPV1 Q8NER1 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL21654202 0.89 KDR (0.64) MEN1KMT2AKDRCNR2PDK1
SCHEMBL8100310 0.85 MEN1 (0.70) MEN1KMT2ATDP1LMNAMAPT
SCHEMBL29625148 0.83 KDR (0.71) MEN1KMT2AKDRCNR2PDK1
SCHEMBL29625146 0.83 KDR (0.71) MEN1KMT2AKDRCNR2PDK1
SCHEMBL1291336 0.83 KDR (0.71) MEN1KMT2AKDRCNR2PDK1
SCHEMBL8407112 0.82 KDR (0.69) MEN1KMT2AKDRCNR2PDK1
SCHEMBL8409965 0.82 KDR (0.69) MEN1KMT2AKDRCNR2PDK1
SCHEMBL12812016 0.81 AR (0.59) —
SCHEMBL31495074 0.80 KDR (0.76) MEN1KMT2AKDRCNR2PDK1
SCHEMBL2600217 0.79 KDR (0.69) MEN1KMT2AKDRPDK1LMNA

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-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 — — US disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 — — 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 (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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT MEN1 2596/4885KMT2A 51/4885TDP1 644/4885

“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.

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