SCHEMBL847768

SCHEMBL847768

Cc1ccc(C(=O)C=Cc2ccc(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 2/20 0.45
MAPT P10636 10/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL847767 0.83 RHOA (0.45) RHOAMAPTMEN1KMT2AALDH1A1
SCHEMBL847983 0.81 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6642187 0.79 AKR1C3 (0.57) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL848595 0.79 KMT2A (0.53) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6643376 0.77 AKR1C3 (0.52) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3632094 0.76 SMN1; SMN2 (0.41) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6645636 0.71 ABCG2 (0.50) RHOAMAPTMEN1KMT2AALDH1A1
SCHEMBL6644795 0.70 KMT2A (0.45) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6644658 0.70 KMT2A (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL27800307 0.70 ABCG2 (0.49) MAPTMEN1KMT2AALDH1A1RAB9A

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
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
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 2472/4885MAPT 3733/4885MEN1 4324/4885

“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.