SCHEMBL6801734

SCHEMBL6801734

CCOC(=O)c1cn(Cc2ccc3ccccc3c2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
GABRA2 P47869 5/20 0.45
GABRB2 P47870 5/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CYP2A6 P11509 1/20 0.42
KLKB1 P03952 1/20 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
SCHEMBL16862955 0.86 ALDH1A1 (0.60) KDM4ENPC1GABRA2GABRB2ALDH1A1
SCHEMBL6799177 0.85 BRD4 (0.48) CYP1A2KLKB1
SCHEMBL28413050 0.83 ALDH1A1 (0.47) KDM4EGABRA2GABRB2ALDH1A1LMNA
SCHEMBL6799487 0.77 CYP11B2 (0.48) KDM4ENPC1GABRA2GABRB2LMNA
SCHEMBL6800674 0.77 SMN1; SMN2 (0.49) KDM4ENPC1GABRA2ALDH1A1HPGD
SCHEMBL2819485 0.75 KLKB1 (0.55) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL17241086 0.74 P2RX7 (0.46) KDM4EALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL23381841 0.73 KDM4E (0.47) KDM4ENPC1GABRA2GABRB2ALDH1A1
SCHEMBL2892525 0.73 SMN1; SMN2 (0.43) KDM4ENPC1GABRA2ALDH1A1LMNA
SCHEMBL9255665 0.72 ALDH1A1 (0.56) KDM4EGABRA2GABRB2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 KDM4E 2900/4885NPC1 1797/4885GABRA2 2787/4885

“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.