SCHEMBL10200570

SCHEMBL10200570

CN1CCN(/C(=N/O)c2ccc(Br)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 5/20 0.69
PTPN5 P54829 5/20 0.69
PTPN11 Q06124 5/20 0.69
ALDH1A1 P00352 5/20 0.69
POLB P06746 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
MGLL Q99685 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL10200555 1.00 DUSP3 (0.69) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL10112230 0.82 DUSP3 (0.71) DUSP3PTPN5PTPN11ALDH1A1MAPT
SCHEMBL10112274 0.79 MGLL (0.69) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL10112307 0.76 ALDH1A1 (0.44) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL27622883 0.76 ALDH1A1 (0.51) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL578679 0.75 POLB (0.87) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL12621027 0.75 POLB (0.87) DUSP3PTPN5PTPN11ALDH1A1POLB
Hydrochloric Acid SCHEMBL27606633 0.74 POLB (0.84) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL10112313 0.72 POLB (0.44) DUSP3PTPN5PTPN11ALDH1A1POLB
SCHEMBL10112196 0.70 CCR5 (0.49) DUSP3PTPN5PTPN11ALDH1A1POLB

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
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
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 DUSP3 1716/4885PTPN5 3555/4885PTPN11 3251/4885

“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.