SCHEMBL20116116

SCHEMBL20116116

COc1ccc(-c2csc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PREP P48147 1/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RY12 Q9H244 1/20 0.43
LDHA P00338 1/20 0.43

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 1.00 MAPT (0.51) MAPTSMN1; SMN2PREPMAPK1ALDH1A1
SCHEMBL26998186 0.92 MAPT (0.49) MAPTSMN1; SMN2PREPMAPK1ALDH1A1
SCHEMBL20116114 0.86 SMN1; SMN2 (0.52) MAPTSMN1; SMN2PREPPOLBP2RY12
SCHEMBL30506331 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2PREPPOLBKMT2A
SCHEMBL20116112 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2PREPPOLBKMT2A
SCHEMBL22357815 0.83 PREP (0.53) MAPTSMN1; SMN2PREPPOLBP2RY12
SCHEMBL20116462 0.81 SMO (0.57) SMN1; SMN2MAPK1MEN1KMT2ALDHA
SCHEMBL30720960 0.81 SMO (0.57) SMN1; SMN2MAPK1MEN1KMT2ALDHA
SCHEMBL22358276 0.81 MEN1 (0.53) MAPTSMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL20116115 0.80 LDHA (0.58) MAPTSMN1; SMN2PREPMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
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
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN 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 MAPT 22/4885SMN1; SMN2 13/4885PREP 677/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885SMN1; SMN2 13/4885PREP 677/4885

“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.