SCHEMBL6288230

SCHEMBL6288230

O=c1c2ccccc2nc2n1CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
ALDH1A1 P00352 5/20 0.88
KDM4E B2RXH2 3/20 0.88
HSD17B10 Q99714 3/20 0.88
L3MBTL1 Q9Y468 2/20 0.88
USP2 O75604 1/20 0.88
CYP1A2 P05177 1/20 0.88
BCHE P06276 1/20 0.88
CFTR P13569 1/20 0.88
ALOX15 P16050 1/20 0.88
ACHE P22303 1/20 0.88
HKDC1 Q2TB90 1/20 0.88
GOPC Q9HD26 1/20 0.88
TDP1 Q9NUW8 1/20 0.88
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HPGD P15428 2/20 0.57

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
SCHEMBL5511965 0.98 MEN1 (0.97) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL29618881 0.98 MEN1 (0.97) MEN1KMT2AHDAC6ALDH1A1KDM4E
Deoxyvasicinone SCHEMBL864139 0.94 ALDH1A1 (1.00) MEN1KMT2AHDAC6ALDH1A1KDM4E
Deoxyvasicinone SCHEMBL29359475 0.94 ALDH1A1 (1.00) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL6920760 0.85 KMT2A (0.73) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL6921486 0.83 KMT2A (0.70) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL6922809 0.82 MEN1 (0.68) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL6920772 0.82 MEN1 (0.68) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL9994900 0.82 MEN1 (0.68) MEN1KMT2AHDAC6ALDH1A1KDM4E
SCHEMBL9387899 0.81 MEN1 (0.68) MEN1KMT2AHDAC6ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272986-A A compound for inhibiting acetylcholinesterase activity, and preparation method and uses thereof XIAMEN MEDICAL COLLEGE 2016-01-27 CN disclosed
US-8642660-B2 Method for altering the lifespan of eukaryotic organisms THE UNIVERSITY OF ROCHESTER (US) 2014-02-04 US disclosed
US-20090163545-A1 Method For Altering The Lifespan Of Eukaryotic Organisms UNIVERSITY OF ROCHESTER (US) 2009-06-25 US disclosed
WO-2005077393-A1 HERBAL FORMULATION COMPRISING EXTRACTS OF ADHATODA, HEDYCHIUM AND CURCUMA AS COUGH SYRUP RANBAXY LABORATORIES LIMITED (IN) 2005-08-25 WO disclosed
US-4588526-A Bronchodilatory azepino(1,2-A)pyrimidine derivatives and acid addition salts thereof and bronchodilating pharmaceutical compositions containing same CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1986-05-13 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-20090163545-A1 Method For Altering The Lifespan Of Eukaryotic Organisms TUFM, MRM1, HOGA1 MEN1 2524/4885KMT2A 2277/4885HDAC6 374/4885

“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.