SCHEMBL4936255

SCHEMBL4936255

CCCCCc1ccc(C(=O)N2C/C(=N/OCc3ccc(OC)cc3)C[C@H]2C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.42
MAPT P10636 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 4/20 0.40
RAB9A P51151 3/20 0.40
HCRTR1 O43613 2/20 0.40
PAX8 Q06710 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL4936260 1.00 CFTR (0.42) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943480 0.94 MAPT (0.40) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943473 0.94 MAPT (0.40) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4945200 0.91 MAPT (0.42) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4945193 0.91 MAPT (0.42) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943684 0.90 MAPT (0.43) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4942673 0.90 MAPT (0.43) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4942683 0.90 MAPT (0.43) CFTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4949431 0.88 MAPT (0.40) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4949437 0.88 MAPT (0.40) MAPTKDM4EHPGDALDH1A1SMN1; SMN2

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 CFTR 2275/4885MAPT 4816/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS CFTR 899/4885MAPT 2519/4885KDM4E 1468/4885

“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.