SCHEMBL848369

SCHEMBL848369

O=C(CCc1ccccc1)c1ccc(F)cc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.44
SIRT1 Q96EB6 1/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ABCB1 P08183 2/20 0.44
FFAR1 O14842 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43

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
SCHEMBL2101511 0.84 ALOX15 (0.53) RAB9AGAAMAPTSIRT1HTT
SCHEMBL14575409 0.82 AKR1C3 (0.47) RAB9APOLBGAAMAPTHTT
SCHEMBL848085 0.79 AKR1C3 (0.60) RAB9AMAPTHTTAKR1C3AKR1C2
SCHEMBL7844253 0.77 AKR1C3 (0.51) RAB9APOLBLMNAMAPTHTT
SCHEMBL4213721 0.76 KMT2A (0.60) GAALMNAMAPTSIRT2AKR1C3
SCHEMBL1958267 0.74 MAPT (0.67) RAB9APOLBGAAMAPTHTT
SCHEMBL4218988 0.74 KMT2A (0.54) RAB9AGAALMNAMAPTSIRT2
SCHEMBL4215803 0.74 MCL1 (0.54) RAB9AGAALMNAMAPTHDAC1
SCHEMBL4225794 0.74 MEN1 (0.51) LMNAMAPTSIRT1SIRT2AKR1C3
SCHEMBL4212636 0.74 KMT2A (0.54) RAB9AGAALMNAMAPTSIRT2

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 RAB9A 669/4885POLB 2911/4885GAA 4777/4885

“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.