SCHEMBL5582856

SCHEMBL5582856

CN(C)CCNC(=O)Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
ACKR3 P25106 3/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
UTS2R Q9UKP6 1/20 0.45
KDM4A O75164 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
CCR3 P51677 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL14473182 0.79 ABL1 (0.46) SMN1; SMN2ALDH1A1KDM4AABL1RIN1
SCHEMBL5582770 0.74 ENPP2 (0.64) SMN1; SMN2ABL1RIN1
SCHEMBL4033268 0.71 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2KDM4EALDH1A1CCR3
SCHEMBL5832718 0.71 CCR3 (0.57) SIGMAR1UTS2RCCR3MEN1KMT2A
SCHEMBL7312986 0.69 SMN1; SMN2 (0.68) SIGMAR1SMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL4034602 0.69 SIGMAR1 (0.83) SIGMAR1MEN1KMT2A
SCHEMBL6716545 0.68 CCR3 (0.57) SIGMAR1SMN1; SMN2KDM4EALDH1A1CCR3
SCHEMBL4034737 0.68 SIGMAR1 (0.81) SIGMAR1CCR3MEN1KMT2A
SCHEMBL2276151 0.68 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1L3MBTL1UTS2RMEN1
SCHEMBL4040013 0.68 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2KDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US claimed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 SIGMAR1 72/4885SMN1; SMN2 3652/4885HSP90AA1 845/4885

“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.