SCHEMBL3031013

SCHEMBL3031013

CCC([NH])N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM1A O60341 1/20 0.35
GRM5 P41594 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL482849 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL1994023 0.75 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL10042012 0.75 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL2275730 0.75 SHBG (0.33) ALDH1A1
SCHEMBL23108665 0.73 KMT2A (0.42) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL21564194 0.73 KMT2A (0.42) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL643674 0.73 KMT2A (0.42) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL3018866 0.72
SCHEMBL3176857 0.71 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL20988251 0.71 KMT2A (0.41) ALDH1A1KMT2ALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
US-5273976-A Ocular hypotensive agents SANKYO COMPANY, LIMITED (JP) 1993-12-28 US disclosed
US-5175161-A Treatment of glaucoma SANKYO COMPANY, LIMITED (JP) 1992-12-29 US disclosed
EP-0391721-A2 Ocular hypotensive agents Sankyo Company Limited (JP) 1990-10-10 EP 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF ALDH1A1 2800/4885KMT2A 4406/4885LMNA 678/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF ALDH1A1 2800/4885KMT2A 4406/4885LMNA 678/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF ALDH1A1 2800/4885KMT2A 4406/4885LMNA 678/4885

“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.