SCHEMBL20116716

SCHEMBL20116716

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.47
LIPG Q9Y5X9 1/20 0.42
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMO Q99835 2/20 0.39
GRM5 P41594 5/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
KDM1A O60341 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20116717 1.00 KIT (0.47) KITLIPGHDAC4HDAC6SMO
SCHEMBL20116437 0.87 KIT (0.47) KITLIPGHDAC4HDAC6SMO
SCHEMBL22358214 0.87 KIT (0.47) KITLIPGHDAC4HDAC6SMO
SCHEMBL22358260 0.86 GPR119 (0.49) HDAC4HDAC6SMOGPR119TSHR
SCHEMBL20117097 0.84 GRM5 (0.44) HDAC4HDAC6GRM5GPR119
SCHEMBL22358045 0.81 GPR119 (0.47) HDAC4HDAC6SMOGRM5GPR119
SCHEMBL22358299 0.81 GPR119 (0.47) HDAC4HDAC6SMOGRM5GPR119
SCHEMBL20116616 0.81 GPR119 (0.47) HDAC4HDAC6SMOGRM5GPR119
SCHEMBL20116039 0.81 SMO (0.52) SMOGRM5NR1H4KDM4ETSHR
SCHEMBL16543146 0.80 KIT (0.48) KITLIPGHDAC4HDAC6SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KIT 4491/4885LIPG 4357/4885HDAC4 496/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885LIPG 4357/4885HDAC4 496/4885

“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.