SCHEMBL7947652

SCHEMBL7947652

Oc1ccc(NC2CC2)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.41
MALT1 Q9UDY8 3/20 0.40
IL1B P01584 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7944240 0.74 PDGFRB (0.43) MALT1CYP1A2CYP3A4CYP2D6USP2
SCHEMBL10201114 0.74 IDH1 (0.36) MEN1KMT2A
SCHEMBL17804235 0.69 CTSK (0.47) HCAR3MALT1MEN1KMT2ACYP1A2
SCHEMBL10201100 0.68 HCAR3 (0.39) HCAR3MEN1KMT2AHSD17B10LMNA
SCHEMBL31366056 0.68 MEN1 (0.41) HCAR3MALT1IL1BNLRP3MEN1
SCHEMBL18572138 0.68 BACE1 (0.46) HCAR3MALT1MEN1KMT2ACYP1A2
SCHEMBL9033586 0.67 PEPD (0.38) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL12701304 0.66 BACE1 (0.49) HCAR3MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL10263801 0.66 EP300 (0.41) ALOX15
SCHEMBL10201352 0.66 KMT2A (0.40) MEN1KMT2AALOX15ALDH1A1TP53

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 5 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
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 HCAR3 709/4885MALT1 2692/4885IL1B 46/4885

“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.