SCHEMBL20116404

SCHEMBL20116404

COCC(=O)N1CCN(c2nc(-c3ccc4cnn(C(C)C)c4c3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.46
LMNA P02545 6/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 5/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL22358259 0.88 MAPT (0.51) MAPTLMNAHTTNPC1TP53
SCHEMBL22357905 0.88 MAPT (0.42) MAPTLMNAHTTNPC1TP53
SCHEMBL20117171 0.87 MAPT (0.44) MAPTLMNAHTTNPC1TP53
SCHEMBL20117123 0.86 MAPT (0.61) MAPTLMNAHTTNPC1TP53
SCHEMBL20116712 0.86 MAPT (0.41) MAPTLMNAHTTNPC1TP53
SCHEMBL22357990 0.84 MAPT (0.46) MAPTLMNAHTTNPC1TP53
SCHEMBL22358261 0.84 HDAC4 (0.43) MAPTLMNAHTTNPC1TP53
SCHEMBL20117145 0.83 MAPT (0.48) MAPTLMNAHTTNPC1TP53
SCHEMBL20116411 0.83 MAPT (0.50) MAPTLMNAHTTNPC1TP53
SCHEMBL20116724 0.82 MAPT (0.45) 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.