SCHEMBL4629004

SCHEMBL4629004

COc1ccc(C(=O)NC(=N)NCc2cccc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 2/20 0.55
PTPN1 P18031 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA2 P00918 1/20 0.51
MAPT P10636 2/20 0.50
NQO2 P16083 2/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
MTNR1A P48039 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
SCHEMBL4629287 0.88 HPGD (0.55) NPC1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL4628397 0.86 SCN2A (0.60) KMT2AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL6696307 0.85 MEN1 (0.62) NPC1KMT2ARAB9APTPN1SMN1; SMN2
SCHEMBL4628790 0.84 NPC1 (0.72) NPC1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL6702035 0.78 KMT2A (0.55) KMT2ATDP1ALDH1A1CA2MAPT
SCHEMBL4629007 0.77 SCN2A (0.77) NPC1KMT2ARAB9APTPN1L3MBTL1
SCHEMBL6702001 0.76 MTNR1A (0.59) KMT2ATDP1ALDH1A1CA2MAPT
SCHEMBL6702167 0.75 TDP1 (0.53) KMT2APTPN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4628525 0.75 TUBB4A (0.51) NPC1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL6698279 0.75 KMT2A (0.51) KMT2ASMN1; SMN2TDP1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 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 NPC1 140/4885KMT2A 3245/4885RAB9A 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.