SCHEMBL5952

SCHEMBL5952

Nc1c(Br)cccc1NC[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
F10 P00742 7/20 0.37
ALDH1A1 P00352 1/20 0.35
FASN P49327 4/20 0.35
CNR1 P21554 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GRIN2B Q13224 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
SCHEMBL11909934 0.86 NPC1 (0.41) PTGER4MAPTF10ALDH1A1GRIN2B
SCHEMBL6716 0.84 ATM (0.39) F10ALDH1A1FASN
SCHEMBL11183 0.84 SCD (0.44) MAPT
SCHEMBL6714 0.84 ATM (0.39) F10ALDH1A1FASN
SCHEMBL10298 0.83 F10 (0.41) F10ALDH1A1FASNGRIN2B
SCHEMBL11909767 0.83 PTGER4 (0.45) PTGER4LMNAMAPTIDO1TDO2
SCHEMBL2009115 0.80 ELANE (0.46) LMNAMAPTF10ALDH1A1FASN
SCHEMBL2009118 0.80 ELANE (0.46) LMNAMAPTF10ALDH1A1FASN
SCHEMBL10320 0.78 IDO1 (0.38) IDO1TDO2F10FASN
SCHEMBL6065 0.75 HTT (0.45) LMNAMAPTF10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGER4 2567/4885LMNA 3101/4885MAPT 4399/4885

“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.