SCHEMBL10131403

SCHEMBL10131403

COc1ccc(N2CCC(=O)CC2)nc1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.40
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TACR1 P25103 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CHEK1 O14757 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 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
SCHEMBL10112519 0.83 L3MBTL1 (0.44) GAAL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL10112516 0.83 TNF (0.39) TNFL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL10131263 0.81 HRH3 (0.45) TNFGAALMNAMAPTKMT2A
SCHEMBL10131475 0.81 NPC1 (0.39) GAALMNAMAPTNPC1RAB9A
SCHEMBL13362622 0.69 TNF (0.39) TNFGAANPC1RAB9A
SCHEMBL27722423 0.68 DPP4 (0.46) GAASMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10112520 0.67 PIM1 (0.34) L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL17893618 0.67 UCHL3 (0.39) NPC1RAB9AKMT2A
SCHEMBL15205660 0.67 GRIN2D (0.58) LMNAMAPT
SCHEMBL7491417 0.65 HRH3 (0.45) GAASMN1; SMN2LMNAMAPTNPC1

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 TNF 1/4885GAA 57/4885L3MBTL1 4820/4885

“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.