SCHEMBL5873516

SCHEMBL5873516

O=C(Nc1ccc2c(c1)OC(F)(F)O2)Nc1ccc2nc(N3CC4CCC3C4)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.55
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
BRAF P15056 2/20 0.34
KIT P10721 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5873605 0.95 MCHR1 (0.54) MCHR1RECQLSMN1; SMN2ALDH1A1MAPT
SCHEMBL5873534 0.80 MCHR1 (0.56) MCHR1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5873663 0.80 MCHR1 (0.63) MCHR1SMN1; SMN2MAPT
SCHEMBL5873615 0.79 MCHR1 (0.61) MCHR1
SCHEMBL6560080 0.79 MCHR1 (0.54) MCHR1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5873550 0.79 MCHR1 (0.61) MCHR1
SCHEMBL5873691 0.77 KDM4E (0.47) MCHR1RECQLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5873634 0.76 MCHR1 (0.75) MCHR1HRH3
SCHEMBL5873541 0.74 MCHR1 (0.55) MCHR1SMN1; SMN2MAPT
SCHEMBL5873704 0.74 MCHR1 (0.62) MCHR1SMN1; SMN2MAPT

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-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US claimed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed

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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885RECQL 533/4885SMN1; SMN2 162/4885

“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.