SCHEMBL20116230

SCHEMBL20116230

O=C(c1ncccc1Cl)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.39
TBK1 Q9UHD2 4/20 0.37
PIK3CD O00329 1/20 0.36
USP30 Q70CQ3 1/20 0.36
KIT P10721 1/20 0.36
CNR1 P21554 2/20 0.35
USP7 Q93009 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MGLL Q99685 1/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL20116378 0.91 RBP4 (0.38) SMN1; SMN2TBK1USP30KITUSP7
SCHEMBL20116228 0.89 HSD11B1 (0.47) SMN1; SMN2HSD11B1MGLL
SCHEMBL20116840 0.85 MGLL (0.46) SMN1; SMN2HSD11B1USP30KITUSP7
SCHEMBL20676311 0.85 TBK1 (0.45) SMN1; SMN2TBK1PIK3CDUSP30KIT
SCHEMBL20116225 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1USP30KITCNR1
SCHEMBL20116224 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1TBK1PIK3CDUSP30
SCHEMBL20116396 0.83 TBK1 (0.46) SMN1; SMN2HSD11B1TBK1USP30USP7
SCHEMBL20116223 0.83 SMN1; SMN2 (0.44) SMN1; SMN2HSD11B1RBP4
SCHEMBL20116089 0.82 SMO (0.42) SMN1; SMN2TBK1PIK3CDUSP30KIT
SCHEMBL20116423 0.81 FASN (0.43) SMN1; SMN2TBK1PIK3CDUSP30KIT

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 13/4885HSD11B1 1676/4885TBK1 3534/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885HSD11B1 1676/4885TBK1 3534/4885

“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.