SCHEMBL2400829

SCHEMBL2400829

Cc1cc(C(=O)N2CCC3(CC2)CC(C(=O)NCc2ccncc2)=NO3)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6410288 0.86 NAMPT (0.41) NAMPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2402442 0.85 FASN (0.41) KDM4ELMNA
SCHEMBL2400949 0.82 CYP3A4 (0.50) NAMPTALDH1A1MAPK1CYP2C9
SCHEMBL6410049 0.81 HPGD (0.43) KMT2AMEN1ALDH1A1
SCHEMBL2577819 0.79 NAMPT (0.50) NAMPTSMN1; SMN2ALDH1A1MAPK1CYP2C9
SCHEMBL2404875 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AALDH1A1GAAPOLB
SCHEMBL2400778 0.76 HTR1A (0.52)
SCHEMBL2399342 0.75 CYP2D6 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL2400827 0.74 KMT2A (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6410053 0.74 MGLL (0.42) KMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NAMPT 1302/4885SMN1; SMN2 1407/4885KMT2A 3636/4885

“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.