SCHEMBL4916445

SCHEMBL4916445

COc1ccc(CNC(=O)c2ccc(CNC(=O)C3(C4CCN(Cc5ccc(Br)cc5)CC4)CCCC3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CACNA1G O43497 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL4913800 0.98 LMNA (0.50) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4924899 0.97 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4923892 0.92 LMNA (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4924918 0.91 LMNA (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4913649 0.90 MMP2 (0.52) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4920736 0.89 LMNA (0.52) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4922337 0.88 MMP2 (0.52) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4916491 0.86 MMP2 (0.53) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4920802 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4922316 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1POLBGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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 (1 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 SMN1; SMN2 3688/4885LMNA 2533/4885ALDH1A1 1255/4885

“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.