SCHEMBL5586321

SCHEMBL5586321

CC(=O)Nc1cc2c([n+]([O-])c1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AVPR1A P37288 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL7299757 0.81 MEN1 (0.35) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2245582 0.70 BAZ2B (0.64) BAZ2BNPC1RAB9AMEN1KMT2A
SCHEMBL2244056 0.69 BAZ2B (0.67) BAZ2BNPC1RAB9AMEN1KMT2A
SCHEMBL8583712 0.68 KDM4E (0.32) MEN1KMT2AALDH1A1MAPT
SCHEMBL1673429 0.67 BAZ2B (0.69) BAZ2BNPC1RAB9AMEN1KMT2A
SCHEMBL4711478 0.66 BCL2 (0.43) MEN1KMT2AALDH1A1MAOA
SCHEMBL5060694 0.66 ADRA2A (0.47) BAZ2BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2249641 0.65 HTT (0.49) BAZ2BNPC1RAB9AMEN1KMT2A
SCHEMBL5120190 0.65 BAZ2B (0.94) BAZ2BNPC1RAB9ACYP1A2ADRA2A
SCHEMBL2247139 0.64 HTT (0.48) BAZ2BNPC1RAB9AMEN1KMT2A

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 BAZ2B 1322/4885NPC1 1085/4885RAB9A 1813/4885

“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.