SCHEMBL4629460

SCHEMBL4629460

NC(=NC(=O)Cc1ccccc1)N1CCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
SCN2A Q99250 1/20 0.57
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NOTUM Q6P988 3/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL4629475 0.92 ALDH1A1 (0.54) ALDH1A1SCN2AMAPTSMN1; SMN2TP53
SCHEMBL4656525 0.84 KMT2A (0.55) ALDH1A1SCN2ARAB9ANPC1MAPT
SCHEMBL14156333 0.79 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL19041416 0.77 ALDH1A1 (0.75) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL4628667 0.77 NPC1 (0.66) ALDH1A1SCN2ARAB9ANPC1L3MBTL1
SCHEMBL14608503 0.74 SMN1; SMN2 (0.64) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL29443491 0.73 NOTUM (0.68) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL43169 0.73 NOTUM (0.68) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL29804966 0.73 NOTUM (0.72) ALDH1A1RAB9ANPC1L3MBTL1MAPT
SCHEMBL17117378 0.73 NOTUM (0.72) ALDH1A1RAB9ANPC1L3MBTL1MAPT

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
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
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

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 858/4885SCN2A 1613/4885RAB9A 617/4885

“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.