SCHEMBL4097052

SCHEMBL4097052

COc1cccc2c1C(Nc1ccc3cc(NC(=O)CN4CCOCC4)ccc3n1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDR P35968 2/20 0.42
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
DRD4 P21917 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
USP2 O75604 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
WNT3A P56704 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL4097577 0.95 ALDH1A1 (0.45) MAPK1ALDH1A1KDRLMNAHRH3
SCHEMBL4115032 0.88 AAK1 (0.39) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL3408996 0.88 DRD4 (0.44) ALDH1A1KDRDRD4SMN1; SMN2MAPT
SCHEMBL4109629 0.86 MEN1 (0.42) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL4116721 0.86 DRD4 (0.42) ALDH1A1DRD4SMN1; SMN2MAPTUSP2
SCHEMBL3401620 0.84 KMT2A (0.38) MAPK1ALDH1A1DRD4SMN1; SMN2MAPT
SCHEMBL4103030 0.84 MEN1 (0.40) ALDH1A1KDRSMN1; SMN2MAPTNPC1
SCHEMBL4103746 0.82 NPC1 (0.41) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL7606814 0.82 MTNR1B (0.42) ALDH1A1KDRSMN1; SMN2MAPTALOX15
SCHEMBL3406614 0.81 NPC1 (0.44) ALDH1A1MAPTNPC1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A MAPK1 3131/4885ALDH1A1 1203/4885KDR 978/4885

“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.