SCHEMBL12658397

SCHEMBL12658397

O=C(OCCN(Cc1ccccc1)Cc1ccccc1)N1CCC(n2cnc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.46
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
FPR2 P25090 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 2/20 0.41
GRIN2B Q13224 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CCR5 P51681 2/20 0.40
LCK P06239 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5857192 0.84 SMN1; SMN2 (0.57) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL1831393 0.82 USP2 (0.48) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL1834088 0.82 USP2 (0.48) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL3754922 0.79 DRD2 (0.65) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL3746308 0.77 DRD2 (0.62) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL13985629 0.77 ALDH1A1 (0.43) KMT2AALDH1A1MEN1GAANPC1
SCHEMBL13980418 0.77 L3MBTL1 (0.53) KMT2AALDH1A1MEN1RAB9AGRIN2B
SCHEMBL13985723 0.77 CYP3A4 (0.48) KMT2AALDH1A1DRD2MEN1NPC1
SCHEMBL3752313 0.76 DRD2 (0.61) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL13079324 0.76 CALCRL (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP disclosed
US-20100273653-A1 Use of Compounds Having a Mongalactosydiacylglycerol Syhnthase Inhibitory Activity as Herbicide or Algaecide, Herbicide and Algaecide Compositions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-10-28 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-20100273653-A1 Use of Compounds Having a Mongalactosydiacylglycerol Syhnthase Inhibitory Activity as Herbicide or Algaecide, Herbicide and Algaecide Compositions GMDS, MGLL, MGAM USP2 1513/4885KMT2A 2914/4885ALDH1A1 1442/4885

“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.