SCHEMBL3971710

SCHEMBL3971710

CCN(CC)c1ccc(C=NN)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ GAA P10253 6/20 0.67
▸ ALDH3A1 P30838 1/20 0.59
▸ ALDH1A3 P47895 1/20 0.59
▸ MAPT P10636 10/20 0.57
▸ HPGD P15428 4/20 0.57
▸ GFER P55789 3/20 0.57
▸ GLA P06280 1/20 0.57
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ CASP1 P29466 3/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ HBB P68871 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52

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
SCHEMBL22198242 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL11748009 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL12878345 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL19265203 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL16760926 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL4899121 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL4899125 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL8572327 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL8572329 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL22198278 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAALDH3A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 — — US claimed
US-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 — — US disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 — — US disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 — — US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 — — US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 — — US disclosed
US-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 — — 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 (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-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 ALDH1A1 866/4885KDM4E 773/4885GAA 4062/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 ALDH1A1 866/4885KDM4E 773/4885GAA 4062/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 ALDH1A1 866/4885KDM4E 773/4885GAA 4062/4885

“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.

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