SCHEMBL20116231

SCHEMBL20116231

CC(C)(C)CC(=O)N1CCC(c2nc(-c3ccc4cnn(C(=O)C5COC5)c4c3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SMO Q99835 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20116878 0.89 GRM5 (0.45) LMNAALOX15TSHRMAPK1NR1H4
SCHEMBL20116158 0.88 LMNA (0.45) LMNAALOX15TSHRMAPK1NR1H4
SCHEMBL20116380 0.85 GRM5 (0.43) LMNAALOX15TSHRMAPK1GRM5
SCHEMBL22358188 0.84 SMN1; SMN2 (0.46) LMNAALOX15TSHRMAPK1NR1H4
SCHEMBL22358216 0.83 LMNA (0.47) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL20116052 0.83 LMNA (0.43) LMNAALOX15TSHRMAPK1NR1H4
SCHEMBL20116065 0.81 SMO (0.46) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116451 0.81 LMNA (0.45) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL20116806 0.80 GRM5 (0.44) GRM5
SCHEMBL22357992 0.79 SMN1; SMN2 (0.44) LMNATSHRGRM5ALDH1A1POLB

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 LMNA 1966/4885ALOX15 557/4885TSHR 4679/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 LMNA 1966/4885ALOX15 557/4885TSHR 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.