SCHEMBL5196405

SCHEMBL5196405

O=C(C(=NO)c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
NT5E P21589 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
AKR1C3 P42330 1/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 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
SCHEMBL5196402 1.00 CES2 (0.50) CES2CES1MAPTALDH1A1POLB
SCHEMBL5199645 0.83 CES2 (0.73) CES2CES1MAPTALDH1A1POLB
SCHEMBL1150733 0.83 LTA4H (0.59) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL1150732 0.83 LTA4H (0.59) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL5091773 0.83 LTA4H (0.59) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL7051206 0.83 LTA4H (0.59) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL8920530 0.82 KMT2A (0.57) CES2CES1MAPTALDH1A1HTT
SCHEMBL6166547 0.82 KMT2A (0.57) CES2CES1MAPTALDH1A1HTT
SCHEMBL6166550 0.82 KMT2A (0.57) CES2CES1MAPTALDH1A1HTT
SCHEMBL7230136 0.81 TDP1 (0.53) MAPTALDH1A1POLBHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C CES2 730/4885CES1 1786/4885MAPT 1501/4885

“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.