SCHEMBL847767

SCHEMBL847767

Cc1ccc(C=CC(=O)c2ccc(S(C)(=O)=O)cc2)c(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTGS2 P35354 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 2/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL847768 0.83 RHOA (0.45) RHOAMEN1KMT2ANPC1RAB9A
SCHEMBL6645636 0.78 ABCG2 (0.50) RHOAMEN1KMT2ANPC1RAB9A
SCHEMBL3632094 0.76 SMN1; SMN2 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL847983 0.75 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL848595 0.72 KMT2A (0.53) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6642187 0.72 AKR1C3 (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6643376 0.71 AKR1C3 (0.52) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6644658 0.70 KMT2A (0.51) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL27800307 0.70 ABCG2 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3636338 0.69 ABCG2 (0.47) MEN1KMT2ANPC1RAB9APOLB

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 5 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-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 RHOA 2472/4885MEN1 4324/4885KMT2A 2156/4885

“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.