SCHEMBL20116114

SCHEMBL20116114

COc1ccc(-c2nsc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
PREP P48147 1/20 0.45
LDHA P00338 1/20 0.45
P2RY12 Q9H244 2/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.42
GAK O14976 1/20 0.42

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
SCHEMBL30506325 0.86 MAPT (0.51) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL20116116 0.86 MAPT (0.51) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL20116462 0.82 SMO (0.57) SMN1; SMN2LDHA
SCHEMBL30720960 0.82 SMO (0.57) SMN1; SMN2LDHA
SCHEMBL22357815 0.82 PREP (0.53) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL22357963 0.82 SMN1; SMN2 (0.43) SMN1; SMN2LDHAP2RY12
SCHEMBL20116115 0.81 LDHA (0.58) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL20116112 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL30506331 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTPOLBPREPLDHA
SCHEMBL30506294 0.81 LDHA (0.58) SMN1; SMN2MAPTPOLBPREPLDHA

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 9 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
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP 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-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-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 SMN1; SMN2 13/4885MAPT 22/4885POLB 3788/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885MAPT 22/4885POLB 3788/4885

“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.