SCHEMBL20116342

SCHEMBL20116342

COc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)C4CCCCC4)CC3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
SMO Q99835 1/20 0.52
DGAT1 O75907 1/20 0.49
HPGD P15428 1/20 0.48
STK17B O94768 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TUBB4A P04350 1/20 0.46

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
SCHEMBL30506337 0.89 SMO (0.57) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20116512 0.89 SMO (0.57) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20660946 0.88 SMO (0.56) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20116341 0.88 HTT (0.57) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20116344 0.86 SMO (0.53) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20116462 0.85 SMO (0.57) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30720960 0.85 SMO (0.57) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20116086 0.84 TUBB4A (0.54) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30720953 0.84 TUBB4A (0.54) HTTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30720936 0.84 SMO (0.52) HTTCYP3A4CYP2C9CYP2C19MEN1

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-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
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 HTT 6/4885CYP3A4 1178/4885CYP2C9 1658/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTT 6/4885CYP3A4 1178/4885CYP2C9 1658/4885

“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.