SCHEMBL29587703

SCHEMBL29587703

CNC(=O)c1cccc(-c2cc(C#N)c(Cl)cc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.46
TNIK Q9UKE5 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.42
UCHL1 P09936 1/20 0.42
NUDT1 P36639 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
S1PR3 Q99500 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NR4A2 P43354 1/20 0.39
CDK8 P49336 1/20 0.39
PDK2 Q15119 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL18617405 1.00 TAF1 (0.46) TAF1TNIKHDAC8HDAC6MAPT
SCHEMBL18587789 0.86 CTSS (0.43) MAPTKDM4E
SCHEMBL18587305 0.85 ERN1 (0.47) MAPT
SCHEMBL18586735 0.82 ERN1 (0.47) TAF1PDK2BRD4CREBBP
SCHEMBL29588054 0.82 ERN1 (0.47) TAF1PDK2BRD4CREBBP
Phenol SCHEMBL18587050 0.81 DHODH (0.41)
SCHEMBL28022359 0.76 KAT6A (0.60) TAF1HDAC8HDAC6DGAT2NR4A2
SCHEMBL20787390 0.75 S1PR3 (0.59) HDAC8HDAC6S1PR3
SCHEMBL28253118 0.75 S1PR3 (0.46) HDAC8HDAC6MAPTS1PR3KDM4E
SCHEMBL16574196 0.75 S1PR4 (0.54) TAF1HDAC8HDAC6NUDT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 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-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 TAF1 2191/4885TNIK 4055/4885HDAC8 624/4885

“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.