SCHEMBL20116406

SCHEMBL20116406

C[C@@H](O)C(=O)N1CCC(c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
SMO Q99835 1/20 0.45
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TUBB4A P04350 5/20 0.42
TUBB P07437 5/20 0.42
TUBA3C P0DPH7 5/20 0.42
TUBA1B P68363 5/20 0.42
TUBA4A P68366 5/20 0.42
TUBB4B P68371 5/20 0.42
TUBB3 Q13509 5/20 0.42
TUBB2A Q13885 5/20 0.42
TUBB8 Q3ZCM7 5/20 0.42
TUBA3E Q6PEY2 5/20 0.42

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
SCHEMBL21611280 0.94 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL20116039 0.88 SMO (0.52) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL20674689 0.86 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL20116752 0.85 LMNA (0.56) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL22358260 0.84 GPR119 (0.49) SMN1; SMN2LMNATSHRSMOTUBB4A
SCHEMBL20116158 0.84 LMNA (0.45) LMNATSHRSMOTUBB4ATUBB
SCHEMBL20116743 0.84 LMNA (0.52) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL20116159 0.84 SMO (0.49) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL20116474 0.83 SMO (0.44) SMN1; SMN2ALDH1A1LMNATSHRSMO
SCHEMBL20116741 0.83 LMNA (0.43) SMN1; SMN2ALDH1A1LMNATSHRSMO

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 13/4885ALDH1A1 656/4885LMNA 1966/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885ALDH1A1 656/4885LMNA 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.