SCHEMBL12260554

SCHEMBL12260554

CNCCCNC(=O)Cn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.48
QPCT Q16769 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12260350 0.85 ALDH1A1 (0.53) ALDH1A1LMNAQPCTL3MBTL1MAPT
SCHEMBL28492409 0.84 TBXAS1 (0.53) ALDH1A1LMNAQPCTL3MBTL1MAPT
SCHEMBL12260313 0.82 ALDH1A1 (0.50) ALDH1A1LMNAQPCTL3MBTL1MAPT
SCHEMBL14499219 0.81 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL8429681 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHTT
SCHEMBL7006174 0.79 ALDH1A1 (0.66) ALDH1A1QPCTKDM4E
SCHEMBL20825406 0.75 ALDH1A1 (0.56) ALDH1A1QPCTKDM4E
SCHEMBL13472650 0.74 KDM4E (0.67) ALDH1A1QPCTL3MBTL1GAASMN1; SMN2
SCHEMBL12260560 0.73 ALDH1A1 (0.40) ALDH1A1LMNAQPCTL3MBTL1MAPT
SCHEMBL806605 0.73 TBXAS1 (0.63) ALDH1A1QPCTL3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 US disclosed
WO-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 WO disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
WO-2010102212-A2 NEUROTROPHIN MIMETICS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-10 WO 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 (4 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-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF ALDH1A1 1744/4885LMNA 2057/4885QPCT 2171/4885
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF ALDH1A1 1744/4885LMNA 2057/4885QPCT 2171/4885
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C ALDH1A1 82/4885LMNA 1415/4885QPCT 2738/4885
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF BDNF, NTRK2, NGF ALDH1A1 1890/4885LMNA 1601/4885QPCT 3868/4885

“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.