SCHEMBL1613508

SCHEMBL1613508

C=CCNc1nc2ccc(Cl)cc2nc1NCC=C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
MTOR P42345 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL7683612 0.78 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7687770 0.78 SUMO3 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9881017 0.75 MAPT (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10144075 0.72 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7688033 0.72 KDM4E (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11773894 0.71 GSTO1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5157381 0.71 PIK3CG (0.58) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4640511 0.70 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL23070410 0.69 CYP1A2 (0.70) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL30016254 0.69 CYP1A2 (0.70) MEN1KMT2ASMN1; SMN2HPGDKDM4E

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
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 WO disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
EP-2240177-A2 TREATMENTS FOR NEUROPATHY Children's Medical Center Corporation (US) 2010-10-20 EP disclosed
WO-2009102570-A2 TREATMENTS FOR NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-08-20 WO disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 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 (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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 MEN1 3907/4885KMT2A 4169/4885SMN1; SMN2 38/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 MEN1 3907/4885KMT2A 4169/4885SMN1; SMN2 38/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF MEN1 3549/4885KMT2A 4280/4885SMN1; SMN2 4/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 MEN1 3907/4885KMT2A 4169/4885SMN1; SMN2 38/4885

“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.