SCHEMBL5582690

SCHEMBL5582690

COc1ccc(-c2ccc(C(=O)Nc3ccc(CC(=O)NCCN(C)C)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
MCHR1 Q99705 3/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
PLAU P00749 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.50
SNCA P37840 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL14454887 0.88 NR1H4 (0.63) MCHR1ALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5583003 0.87 NR1H4 (0.62) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL5582719 0.86 MEN1 (0.56) MCHR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5582552 0.84 KMT2A (0.59) MCHR1ALDH1A1MEN1KMT2APOLB
SCHEMBL5583103 0.82 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5582695 0.81 TDP1 (0.61) MCHR1NPC1RAB9AALDH1A1MEN1
SCHEMBL5582687 0.80 POLB (0.53) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL14490974 0.79 NPC1 (0.69) MAPK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL30341896 0.78 RAB9A (0.89) MCHR1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL10707297 0.77 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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 MAPK1 1166/4885MCHR1 2/4885NPC1 1085/4885

“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.