SCHEMBL6645196

SCHEMBL6645196

Cc1ccc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c(SC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.41
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL6647534 0.90 KMT2A (0.46) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6642785 0.86 RAB9A (0.43) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6645843 0.84 MAPT (0.47) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6645802 0.83 TAS1R3 (0.49) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6646764 0.83 TAS1R3 (0.47) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6648265 0.83 HTT (0.39) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6645987 0.83 CNR1 (0.50) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6643919 0.81 RAB9A (0.46) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL6646637 0.81 KMT2A (0.46) HTTTAS1R3TAS1R1RAB9ANPC1
SCHEMBL7197030 0.81 KMT2A (0.61) HTTTAS1R3TAS1R1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR HTT 1332/4885TAS1R3 3106/4885TAS1R1 2303/4885

“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.