SCHEMBL10201100

SCHEMBL10201100

CCNc1ccc(O)c(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
IDO1 P14902 2/20 0.38
CACNA1C Q13936 2/20 0.38
SCN5A Q14524 2/20 0.38
KCNH2 Q12809 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
PGK1 P00558 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL28764984 0.80 HCAR3 (0.41) HCAR3IDO1CACNA1CSCN5AKCNH2
SCHEMBL10201113 0.76 PIK3CA (0.47)
SCHEMBL10201114 0.75 IDH1 (0.36) MEN1KMT2A
SCHEMBL10201098 0.74 PGK1 (0.49) CACNA1CSCN5AKCNH2PGK1KDM4E
SCHEMBL10263801 0.70 EP300 (0.41) ADRA2AADRA2BADRA2C
SCHEMBL10200978 0.69 KDM4E (0.48) KDM4ERAB9APKMNPC1LMNA
SCHEMBL99680 0.68 CACNA1C (0.51) CACNA1CSCN5AKCNH2GABRA1GABRG2
SCHEMBL22937086 0.68 CACNA1C (0.51) HCAR3CACNA1CSCN5AKCNH2MEN1
SCHEMBL7947652 0.68 HCAR3 (0.41) HCAR3IDO1LMNAMEN1KMT2A
SCHEMBL9033586 0.68 PEPD (0.38) KDM4ERAB9AGAANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 HCAR3 709/4885IDO1 1072/4885CACNA1C 4154/4885

“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.