SCHEMBL5508549

SCHEMBL5508549

Cc1cccc2nc(C(Cl)(Cl)Cl)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AHR P35869 1/20 0.36
AR P10275 2/20 0.36
KIF11 P52732 1/20 0.35
TNF P01375 1/20 0.35
ATM Q13315 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
DAO P14920 1/20 0.34
DDO Q99489 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL1128774 0.89 NPSR1 (0.37) MEN1KMT2APARP1NPSR1NPC1
SCHEMBL6759198 0.85 ADORA3 (0.40) PARP1NPSR1NPC1ALDH1A1HPGD
SCHEMBL9502744 0.84 NPSR1 (0.53) MEN1KMT2APARP1NPSR1NPC1
SCHEMBL24113220 0.81 MEN1 (0.41) MEN1KMT2APARP1NPSR1NPC1
SCHEMBL31024266 0.80 MEN1 (0.39) MEN1KMT2ATNFATMNOD2
SCHEMBL5772321 0.80 MEN1 (0.39) MEN1KMT2ATNFATMNOD2
SCHEMBL31569089 0.78 MEN1 (0.40) MEN1KMT2APARP1NPSR1ELANE
SCHEMBL6139156 0.77 PARP1 (0.41) PARP1NPSR1NPC1ALDH1A1HPGD
SCHEMBL31033488 0.76 PARP1 (0.56) MEN1KMT2APARP1NPSR1NPC1
SCHEMBL353892 0.76 PARP1 (0.56) MEN1KMT2APARP1NPSR1NPC1

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-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 US disclosed
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS MEN1 2745/4885KMT2A 4397/4885PARP1 1257/4885

“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.