SCHEMBL5772321

SCHEMBL5772321

Cc1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PDE2A O00408 1/20 0.33
P2RY12 Q9H244 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TYMS P04818 1/20 0.32
TNF P01375 1/20 0.31
ATM Q13315 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
HCAR1 Q9BXC0 3/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL31024266 1.00 MEN1 (0.39) MEN1KMT2APDE3BPDE3APDE2A
SCHEMBL31569501 0.83 MEN1 (0.37) MEN1KMT2ATYMSTNFATM
SCHEMBL5508549 0.80 MEN1 (0.40) MEN1KMT2APDE3BPDE3ATNF
SCHEMBL3711999 0.76 DAO (0.37) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL353027 0.75 ALDH1A1 (0.41) MEN1KMT2APDE3BPDE3APDE2A
SCHEMBL24113220 0.72 MEN1 (0.41) MEN1KMT2APDE3BPDE3AKDM4E
SCHEMBL2541923 0.72 FABP6 (0.46) MEN1KMT2APDE3BPDE3APDE2A
SCHEMBL22349154 0.72 KDM4E (0.43) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL9144166 0.72 PDE3B (0.36) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL4069922 0.71 SMN1; SMN2 (0.40) MEN1KMT2APDE3BPDE3APDE2A

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-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 EP disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS MEN1 2745/4885KMT2A 4397/4885PDE3B 34/4885

“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.