SCHEMBL5873688

SCHEMBL5873688

CSc1ccc(NC(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.55
NOX1 Q9Y5S8 1/20 0.41
EPHX2 P34913 1/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GBA1 P04062 1/20 0.39
LMNA P02545 1/20 0.38
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ3 P48549 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL5873534 0.94 MCHR1 (0.56) MCHR1NOX1EPHX2MAPTSMN1; SMN2
SCHEMBL5873646 0.87 MCHR1 (0.59) MCHR1
SCHEMBL5873662 0.86 MCHR1 (0.50) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5873667 0.86 MCHR1 (0.50) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5873704 0.86 MCHR1 (0.62) MCHR1EPHX2MAPTSMN1; SMN2RAB9A
SCHEMBL5873481 0.86 MCHR1 (0.55) MCHR1EPHX2SMN1; SMN2RAB9ANPC1
SCHEMBL5873575 0.86 MCHR1 (0.55) MCHR1NOX1MAPTSMN1; SMN2RAB9A
SCHEMBL5873563 0.84 MCHR1 (0.65) MCHR1RAB9ANPC1MEN1KMT2A
SCHEMBL5873634 0.84 MCHR1 (0.75) MCHR1
SCHEMBL5873541 0.82 MCHR1 (0.55) MCHR1MAPTSMN1; SMN2RAB9ANPC1

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
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885NOX1 4725/4885EPHX2 2921/4885

“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.