SCHEMBL3404455

SCHEMBL3404455

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.45
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
MTOR P42345 2/20 0.41
BAZ1A Q9NRL2 1/20 0.41
EPHX2 P34913 2/20 0.41
TRPM8 Q7Z2W7 2/20 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
SCHEMBL3403165 0.90 KMT2A (0.48) LMNAMAPT
SCHEMBL3398554 0.90 NPC1 (0.52) LMNAMAPTTRPV1
SCHEMBL4119600 0.87 NPC1 (0.40) LMNAMAPT
SCHEMBL3401343 0.86 KMT2A (0.56) LMNAMAPTMTOR
SCHEMBL3411790 0.85 NPC1 (0.42) LMNAMAPT
SCHEMBL3401633 0.85 HPGDS (0.51) NFKB1NFKB2RELAMAPT
SCHEMBL3400249 0.85 NPSR1 (0.50) NFKB1NFKB2RELAMAPTTRPV1
SCHEMBL3412973 0.85 BRS3 (0.47) LMNAMAPT
SCHEMBL3412407 0.85 JAK2 (0.47) LMNAMAPTEPHX2
SCHEMBL3405693 0.84 NPC1 (0.45) LMNAMAPT

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-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B MCHR1 156/4885LMNA 3773/4885NFKB1 584/4885

“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.