SCHEMBL1591897

SCHEMBL1591897

CC(C)(C)NC(=O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
S1PR2 O95136 1/20 0.42
HPGDS O60760 1/20 0.42
CNR1 P21554 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL8072495 0.90 POLB (0.41) POLBAPEX1HPGDSCNR1MAPT
SCHEMBL570284 0.81 MEN1 (0.49) POLBAPEX1HPGDSMAPTMEN1
SCHEMBL1580209 0.81 CASP1 (0.42) POLBAPEX1CNR1MAPTMEN1
SCHEMBL13475471 0.80 GRN (0.50) POLBAPEX1
SCHEMBL9411718 0.80 CNR2 (0.39) S1PR2CNR1MAPTMEN1KMT2A
SCHEMBL13701663 0.79 TAS1R3 (0.51) POLBHPGDSMAPTRIPK1LMNA
SCHEMBL6970356 0.78 HPGD (0.47) S1PR2MEN1KMT2AALDH1A1TSHR
SCHEMBL23060397 0.77 S1PR2 (0.50) S1PR2MEN1KMT2ALMNABCHE
SCHEMBL29197138 0.77 POLB (0.42) POLBAPEX1CNR1MAPTLMNA
SCHEMBL20908956 0.75 HPGD (0.42) S1PR2CNR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
WO-2009150230-A1 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER NOVARTIS AG (CH) 2009-12-17 WO 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-20110092505-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 POLB 745/4885APEX1 2671/4885S1PR2 3326/4885

“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.