SCHEMBL3407336

SCHEMBL3407336

C[C@@H](NC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
MTOR P42345 1/20 0.42
MAPK1 P28482 10/20 0.41
NPY1R P25929 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3400349 1.00 HSD17B10 (0.43) HSD17B10MTORMAPK1NPY1RNPC1
SCHEMBL3410563 0.91 NPY1R (0.48) NPY1RNPC1ALDH1A1KMT2A
SCHEMBL3403165 0.87 KMT2A (0.48) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3411790 0.86 NPC1 (0.42) NPY1RNPC1ALDH1A1LMNAMEN1
SCHEMBL3411464 0.85 HPGDS (0.41) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3410594 0.84 NPY1R (0.40) MAPK1NPY1RNPC1ALDH1A1LMNA
SCHEMBL4109902 0.84 MAPT (0.44) NPC1ALDH1A1MEN1KMT2AHPGDS
SCHEMBL3412973 0.83 BRS3 (0.47) HSD17B10NPY1RNPC1ALDH1A1LMNA
SCHEMBL3412407 0.83 JAK2 (0.47) NPY1RNPC1ALDH1A1LMNAMEN1
SCHEMBL3431583 0.83 NR1I3 (0.42) NPY1RNPC1MEN1KMT2AHPGDS

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 8 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
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP claimed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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 HSD17B10 3125/4885MTOR 862/4885MAPK1 3433/4885

“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.