SCHEMBL4813089

SCHEMBL4813089

O=C1c2ccccc2C(=O)N1NCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
CDC25A P30304 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
NTRK1 P04629 1/20 0.44
NGFR P08138 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ASAH1 Q13510 2/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HEXA P06865 1/20 0.39

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
SCHEMBL11408828 0.89 NTRK1 (0.52) MAPTLMNACDC25AKDM4EALDH1A1
SCHEMBL4079545 0.81 CYP1A2 (0.44) MAPTKDM4EALDH1A1RAB9ANPSR1
SCHEMBL4950343 0.80 ASAH1 (0.56) CDC25AALDH1A1CYP1A2ASAH1CA12
SCHEMBL22649169 0.80 CYP1A2 (0.43) MAPTKDM4EALDH1A1RAB9ANPSR1
SCHEMBL8227448 0.80 CYP1A2 (0.43) MAPTLMNAKDM4EALDH1A1RAB9A
SCHEMBL29612422 0.80 GAA (0.53) MAPTLMNAKDM4EALDH1A1RAB9A
SCHEMBL30501189 0.79 SIGMAR1 (0.44) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL28876218 0.79 CYP1A2 (0.42) MAPTKDM4EALDH1A1RAB9ANPSR1
SCHEMBL27387263 0.79 ASAH1 (0.59) CDC25AALDH1A1CYP1A2ASAH1CA12
SCHEMBL8873486 0.79 CYP1A2 (0.48) MAPTLMNAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388112-B2 Immunomodulation with novel pharmaceutical compositions MEDIQUEST THERAPEUTICS, INC. (US) 2008-06-17 US disclosed
US-20060167054-A1 Immunomodulation with novel pharmaceutical compositions MEDIQUEST THERAPEUTICS, INC. (US) 2006-07-27 US disclosed
US-6919483-B2 Immunomodulation with novel pharmaceutical compositions MEDIQUEST THERAPEUTICS, INC. (US) 2005-07-19 US disclosed
US-20040235960-A1 Immunomodulation with novel pharmaceutical compositions MEDIQUIST THERAPRUTICS, INC. 2004-11-25 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-20040235960-A1 Immunomodulation with novel pharmaceutical compositions TNF, IL2, CD40 MAPT 4581/4885HTT 2521/4885LMNA 3271/4885
US-20060167054-A1 Immunomodulation with novel pharmaceutical compositions TNF, IL2, CD40 MAPT 4809/4885HTT 2877/4885LMNA 3747/4885

“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.