SCHEMBL762401

SCHEMBL762401

CCC1C2CCC(C2)C1C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12523284 0.83 TLR4 (0.34) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL14613615 0.83 ALDH1A1 (0.40) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL14189730 0.81 KMT2A (0.43) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL10662531 0.79 ALDH1A1 (0.33) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL10662525 0.79 ALDH1A1 (0.33) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL19318953 0.75 KMT2A (0.51) KMT2AALDH1A1MEN1CYP2C19NPC1
SCHEMBL12576179 0.75 KMT2A (0.51) KMT2AALDH1A1MEN1CYP2C19NPC1
SCHEMBL14276822 0.73 KMT2A (0.35) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL14319152 0.72 MEN1 (0.31) KMT2AMEN1CYP1A2
SCHEMBL16409155 0.72 KMT2A (0.33) KMT2A

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
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 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-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE KMT2A 2512/4885ALDH1A1 481/4885MEN1 3927/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 KMT2A 3741/4885ALDH1A1 2467/4885MEN1 4004/4885

“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.