SCHEMBL20116372

SCHEMBL20116372

CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)CC5(C)CC5)CC4)no3)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.39
USP7 Q93009 1/20 0.39
USP30 Q70CQ3 3/20 0.39
NR1H4 Q96RI1 3/20 0.38
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGER3 P43115 1/20 0.36
SCD5 Q86SK9 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL20117082 0.87 TBK1 (0.44) HTR4USP7USP30NR1H4HTT
SCHEMBL22358288 0.86 USP7 (0.40) HTR4USP7USP30NR1H4HTT
SCHEMBL20116895 0.86 FASN (0.46) HTR4USP7USP30NR1H4HTT
SCHEMBL20116381 0.85 USP30 (0.38) USP7USP30NR1H4HTTSMN1; SMN2
SCHEMBL20116502 0.85 USP7 (0.39) HTR4USP7USP30NR1H4HTT
SCHEMBL22357947 0.84 HTR4 (0.39) HTR4USP7USP30HTTCYP2D6
SCHEMBL20116063 0.84 USP7 (0.40) HTR4USP7USP30NR1H4HTT
SCHEMBL20116506 0.84 SMO (0.42) HTR4USP7USP30HTTCYP2D6
SCHEMBL20116368 0.82 USP30 (0.42) HTR4USP7USP30HTTSMN1; SMN2
SCHEMBL22358472 0.81 USP30 (0.48) USP7USP30HTTSMN1; SMN2KMT2A

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 HTR4 482/4885USP7 4265/4885USP30 3526/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTR4 482/4885USP7 4265/4885USP30 3526/4885

“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.