SCHEMBL339080

SCHEMBL339080

CCOC(=O)C1CCCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL339389 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL338580 0.84 TSHR (0.44) ALDH1A1KDM4ETSHRMAPK1MAPT
SCHEMBL868597 0.82 MAPK1 (0.46) ALDH1A1KDM4EHTTMAPK1MAPT
SCHEMBL1911465 0.82 IDE (0.46) ALDH1A1KDM4EHTTMAPK1MAPT
SCHEMBL338966 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHTTSMN1; SMN2MAPK1
SCHEMBL340037 0.79 DPP4 (0.39) ALDH1A1KDM4EHTTLMNANPSR1
SCHEMBL339823 0.78 TSHR (0.42) ALDH1A1HTTSMN1; SMN2L3MBTL1TSHR
SCHEMBL339494 0.78 SLC2A1 (0.43) HPGDSMN1; SMN2MAPK1MAPTLMNA
SCHEMBL1911466 0.77 FNTA (0.40) ALDH1A1KDM4EHTTSMN1; SMN2MAPK1
SCHEMBL339604 0.76 AKT1 (0.44) ALDH1A1NPC1RAB9AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALDH1A1 480/4885KDM4E 3759/4885HPGD 934/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885KDM4E 3759/4885HPGD 934/4885

“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.