SCHEMBL22357828

SCHEMBL22357828

Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)N5CCOCC5)CC4)n3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
POLB P06746 2/20 0.58
ALOX12 P18054 1/20 0.58
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRM5 P41594 6/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL22357836 0.92 GRM5 (0.52) SMN1; SMN2POLBALOX12CYP2C9CYP2C19
SCHEMBL22357779 0.89 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL20676418 0.87 LMNA (0.47) SMN1; SMN2LMNATSHRTUBB4ATUBB
SCHEMBL22357837 0.87 SMN1; SMN2 (0.55) SMN1; SMN2POLBGRM5LMNAHTT
SCHEMBL20676419 0.86 LMNA (0.48) SMN1; SMN2LMNAHTTTSHRTUBB4A
SCHEMBL22357829 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTTSHRTUBB4A
SCHEMBL22358240 0.86 SMO (0.51) SMN1; SMN2LMNAHTTNPSR1TSHR
SCHEMBL22357834 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL22357827 0.85 SMN1; SMN2 (0.41) SMN1; SMN2POLBALOX12CYP2D6CYP2C9
SCHEMBL20676627 0.85 LMNA (0.47) SMN1; SMN2LMNATSHRTUBB4ATUBB

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 3 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

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 13/4885POLB 3788/4885ALOX12 651/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885POLB 3788/4885ALOX12 651/4885

“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.