SCHEMBL4629475

SCHEMBL4629475

NC(=NC(=O)Cc1ccccc1)N1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NOTUM Q6P988 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SCN2A Q99250 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
GRM7 Q14831 1/20 0.47

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
SCHEMBL4629460 0.92 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL4628693 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL4656525 0.77 KMT2A (0.55) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL29640094 0.75 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL3120560 0.75 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL4019697 0.74 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL7103386 0.74 SIGMAR1 (0.57) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1
SCHEMBL4628474 0.74 SCN2A (0.86) ALDH1A1SMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL4627586 0.74 SCN2A (0.67) SMN1; SMN2NOTUMMAPTMEN1KMT2A
SCHEMBL4629002 0.73 TSHR (0.67) ALDH1A1SMN1; SMN2NOTUMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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 (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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA ALDH1A1 858/4885SMN1; SMN2 53/4885NOTUM 404/4885

“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.