SCHEMBL2444252

SCHEMBL2444252

CCC1([C@@H](O)CCSc2nnnn2-c2ccccc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.53
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2448082 0.77 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2RAB9APOLB
SCHEMBL7922059 0.76 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1286287 0.72 ALDH1A1 (0.50) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL16116944 0.72 ALDH1A1 (0.72) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL7313156 0.72 ALDH1A1 (0.56) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL16522422 0.71 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL10970208 0.71 ALDH1A1 (0.71) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL10973042 0.71 ALDH1A1 (0.71) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL10448232 0.71 ALDH1A1 (1.00) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL16526226 0.71 ALDH1A1 (0.70) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed
US-8026273-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-09-27 US disclosed
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-7683094-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-12 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 US disclosed
EP-1481976-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-01 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-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient PTGER2, PTGIS, HPGDS ALDH1A1 3205/4885LMNA 3243/4885TSHR 4298/4885
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS ALDH1A1 3470/4885LMNA 3268/4885TSHR 4536/4885
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS ALDH1A1 3470/4885LMNA 3268/4885TSHR 4536/4885

“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.