SCHEMBL20117067

SCHEMBL20117067

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5nccs5)CC4)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
HTT P42858 3/20 0.43
ALDH1A1 P00352 4/20 0.42
SMO Q99835 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
RBP4 P02753 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL20116401 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL22357915 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116476 0.86 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL22357920 0.86 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116479 0.86 LMNA (0.57) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL22357882 0.85 SMN1; SMN2 (0.54) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL22358275 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116784 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116403 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116473 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHTTALDH1A1

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 SMN1; SMN2 13/4885LMNA 1966/4885TSHR 4679/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885LMNA 1966/4885TSHR 4679/4885

“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.