SCHEMBL20116797

SCHEMBL20116797

O=C(CC1CC1)N1CCN(c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 7/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.36
SMO Q99835 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL20116340 0.87 MAPT (0.41) MAPTTP53LMNAHTTNPC1
SCHEMBL20116161 0.87 TBK1 (0.39) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL20116146 0.87 MAPT (0.41) MAPTTP53LMNAHTTNPC1
SCHEMBL20116743 0.86 LMNA (0.52) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL20116227 0.85 MAPT (0.40) MAPTTP53LMNAHTTNPC1
SCHEMBL20116033 0.85 MAPT (0.50) MAPTTP53LMNAHTTNPC1
SCHEMBL20117171 0.84 MAPT (0.44) MAPTTP53LMNAHTTNPC1
SCHEMBL20116032 0.84 MAPT (0.46) MAPTTP53LMNAHTTNPC1
SCHEMBL20116160 0.84 TBK1 (0.38) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL20676527 0.82 MAPT (0.37) MAPTTP53LMNAHTTNPC1

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 5 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
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 (1 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 22/4885TP53 4352/4885LMNA 1966/4885

“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.