SCHEMBL5772789

SCHEMBL5772789

Cc1cc(Cl)cc2nc(C(Cl)(Cl)Cl)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HRH4 Q9H3N8 4/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
AMY1A P0DUB6 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
SCHEMBL13544179 0.78 ALDH1A1 (0.47) CYP1A2HRH4ALDH1A1KDM4EPOLB
SCHEMBL5508999 0.76 AR (0.33) CYP1A2HRH4MEN1KMT2AAR
SCHEMBL5508549 0.75 MEN1 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2107199 0.75 CYP1A2 (0.36) CYP1A2HRH4ALDH1A1KDM4ENPC1
SCHEMBL5681122 0.75 FABP6 (0.47) CYP1A2HRH4ALDH1A1
SCHEMBL13542764 0.72 KDM4E (0.40) CYP1A2HRH4ALDH1A1KDM4EPOLB
SCHEMBL5772321 0.70 MEN1 (0.39) KDM4EMEN1KMT2A
SCHEMBL31024266 0.70 MEN1 (0.39) KDM4EMEN1KMT2A
SCHEMBL10248302 0.70 CYP1A2 (0.39) CYP1A2HRH4ALDH1A1KDM4EHTT
SCHEMBL5509002 0.69 FABP6 (0.53) HRH4KDM4EMEN1KMT2APOLB

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 CYP1A2 204/4885HRH4 1986/4885ALDH1A1 275/4885

“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.