SCHEMBL20116378

SCHEMBL20116378

O=C(c1ncccc1F)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
TPSAB1 Q15661 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
USP30 Q70CQ3 2/20 0.36
SCN3A Q9NY46 1/20 0.36
KIT P10721 1/20 0.36
USP7 Q93009 1/20 0.35

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
SCHEMBL20116230 0.91 SMN1; SMN2 (0.39) RBP4SMN1; SMN2TBK1USP30KIT
SCHEMBL20116223 0.89 SMN1; SMN2 (0.44) RBP4SMN1; SMN2CYP2C9CYP2C19KCNH2
SCHEMBL20676449 0.87 S1PR1 (0.41) ALOX5APFEN1
SCHEMBL20116840 0.85 MGLL (0.46) SMN1; SMN2CYP2C9CYP2C19KCNH2TPSAB1
SCHEMBL20116070 0.85 USP30 (0.39) RBP4SMN1; SMN2KCNH2USP30KIT
SCHEMBL20676311 0.83 TBK1 (0.45) SMN1; SMN2TBK1USP30KITUSP7
SCHEMBL20116228 0.83 HSD11B1 (0.47) SMN1; SMN2
SCHEMBL20116172 0.82 USP7 (0.38) SMN1; SMN2CYP2C9CYP2C19TBK1USP30
SCHEMBL20116089 0.82 SMO (0.42) SMN1; SMN2TBK1USP30KITUSP7
SCHEMBL20116396 0.82 TBK1 (0.46) SMN1; SMN2TBK1USP30USP7

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 RBP4 2315/4885SMN1; SMN2 13/4885CYP2C9 1658/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RBP4 2315/4885SMN1; SMN2 13/4885CYP2C9 1658/4885

“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.