SCHEMBL20116972

SCHEMBL20116972

CCC(=O)N1CCN(c2nc(-c3ccc4cnn(C5CN(C(=O)CC)C5)c4c3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
LMNA P02545 7/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL20116146 0.82 MAPT (0.41) MAPTLMNAHTTNPC1TP53
SCHEMBL20116340 0.82 MAPT (0.41) MAPTLMNAHTTNPC1TP53
SCHEMBL20116797 0.81 MAPT (0.41) MAPTLMNAHTTNPC1TP53
SCHEMBL20116520 0.81 LRRK2 (0.45) MAPTLMNAHTTNPC1TP53
SCHEMBL20116227 0.81 MAPT (0.40) MAPTLMNAHTTNPC1TP53
SCHEMBL20116033 0.80 MAPT (0.50) MAPTLMNAHTTNPC1TP53
SCHEMBL20116058 0.79 MAPT (0.49) MAPTLMNAHTTNPC1TP53
SCHEMBL20116162 0.78 TBK1 (0.37) MAPTLMNANPC1SMN1; SMN2MEN1
SCHEMBL20116056 0.77 MAPT (0.47) MAPTLMNAHTTNPC1TP53
SCHEMBL20116720 0.77 GPR119 (0.50) MAPTLMNAHTTNPC1TP53

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 MAPT 22/4885LMNA 1966/4885HTT 6/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885LMNA 1966/4885HTT 6/4885

“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.