SCHEMBL5582807

SCHEMBL5582807

CC(=O)Nc1cccc2c1CCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PARP14 Q460N5 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 1/20 0.46
ADRA2A P08913 1/20 0.43
TYR P14679 1/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4814588 0.90 NPC1 (0.56) NPC1RAB9APARP14MAOAALDH1A1
SCHEMBL1613763 0.79 ALDH1A1 (0.68) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL30567324 0.79 ALDH1A1 (0.68) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL4877265 0.78 ALDH1A1 (0.70) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL7652191 0.78 BAZ2B (0.44) NPC1RAB9APARP14BAZ2BMAOA
SCHEMBL7581652 0.76 PARP1 (0.56) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL7481214 0.76 BAZ2B (0.47) NPC1RAB9APARP14BAZ2BALDH1A1
SCHEMBL9797400 0.76 ALDH1A1 (0.48) NPC1RAB9APARP14ALDH1A1HPGD
SCHEMBL1638724 0.76 ALDH1A1 (0.72) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL7102610 0.75 KEAP1 (0.47) PARP14MAOAALDH1A1HPGDKDM4E

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-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
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 NPC1 1085/4885RAB9A 1813/4885PARP14 3997/4885

“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.