SCHEMBL846925

SCHEMBL846925

CC(=O)c1cc(Cl)ccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.59
AKR1C2 P52895 8/20 0.59
MPO P05164 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
DHODH Q02127 1/20 0.49
ALOX15 P16050 1/20 0.49
FABP4 P15090 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C1 Q04828 2/20 0.48

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
SCHEMBL847502 0.87 GRIK1 (0.54) AKR1C3AKR1C2TMPRSS4L3MBTL1MEN1
SCHEMBL9537375 0.87 MPO (0.68) AKR1C3AKR1C2MPOKDM4EHSD17B10
SCHEMBL10934153 0.86 AKR1C3 (0.57) AKR1C3AKR1C2MPOKDM4EHSD17B10
SCHEMBL5927337 0.84 MPO (0.53) AKR1C3AKR1C2MPOTMPRSS4KDM4E
SCHEMBL10934422 0.82 SIRT2 (0.60) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL11555198 0.81 AKR1C3 (0.49) AKR1C3AKR1C2TMPRSS4KDM4EHSD17B10
SCHEMBL9850116 0.81 AKR1C3 (0.59) AKR1C3AKR1C2KDM4EHSD17B10L3MBTL1
SCHEMBL31563092 0.81 AKR1C3 (0.59) AKR1C3AKR1C2MPOMEN1KMT2A
SCHEMBL30567364 0.81 AKR1C3 (0.59) AKR1C3AKR1C2MPOMEN1KMT2A
SCHEMBL29050678 0.81 AKR1C3 (0.59) AKR1C3AKR1C2MPOMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 AKR1C3 1069/4885AKR1C2 1207/4885MPO 3103/4885

“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.