SCHEMBL4628693

SCHEMBL4628693

NC(=NC(=O)c1ccco1)N1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 6/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
SCN2A Q99250 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
NOTUM Q6P988 1/20 0.49
POLB P06746 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.46

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
SCHEMBL4628667 0.93 NPC1 (0.66) ALDH1A1MAPTNPC1RAB9ATDP1
SCHEMBL4627586 0.80 SCN2A (0.67) MAPTSCN2ASMN1; SMN2HPGDKMT2A
SCHEMBL4629475 0.78 ALDH1A1 (0.54) ALDH1A1MAPTSCN2ASMN1; SMN2KDM4E
SCHEMBL4628474 0.77 SCN2A (0.86) ALDH1A1NPC1RAB9ASCN2ASMN1; SMN2
SCHEMBL4629002 0.76 TSHR (0.67) ALDH1A1MAPTNPC1RAB9ASCN2A
SCHEMBL4627492 0.74 SCN2A (0.60) ALDH1A1SCN2ASMN1; SMN2HPGDUSP2
SCHEMBL4628490 0.74 POLB (0.69) ALDH1A1MAPTSCN2ASMN1; SMN2KMT2A
SCHEMBL29640094 0.73 SMN1; SMN2 (0.74) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL3120560 0.73 SMN1; SMN2 (0.74) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL4019697 0.73 SMN1; SMN2 (0.79) ALDH1A1MAPTSMN1; SMN2HPGDTSHR

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 5 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

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 858/4885MAPT 705/4885NPC1 140/4885

“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.