SCHEMBL3612924

SCHEMBL3612924

CC(=O)NCCCNc1nccc2c1CCc1cnc(Nc3cccc(Cl)c3)nc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.45
CDK2 P24941 11/20 0.42
CCNA2 P20248 10/20 0.42
CCNA1 P78396 7/20 0.42
PLK1 P53350 6/20 0.42
AURKA O14965 6/20 0.42
MAOB P27338 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CDK4 P11802 3/20 0.41
CCND3 P30281 3/20 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
SCHEMBL13503001 0.87 STK17A (0.48) MAOBGRM5CHEK1FLT3
SCHEMBL3611480 0.85 SIRT5 (0.46) SIRT5CDK2CCNA2CCNA1PLK1
SCHEMBL3609399 0.80 SIRT5 (0.49) SIRT5CDK2CCNA2AURKAMAPT
SCHEMBL3605169 0.78 CDK2 (0.51) SIRT5CDK2CCNA2CCNA1KDM4E
SCHEMBL3602605 0.77 CDK2 (0.50) SIRT5CDK2CCNA2CCNA1KDM4E
SCHEMBL3608990 0.77 MAPT (0.52) SIRT5CDK2CCNA2KDM4EMAPT
SCHEMBL3611125 0.76 MAPT (0.52) SIRT5CDK2CCNA2KDM4EMAPT
SCHEMBL3611150 0.76 CDK2 (0.50) SIRT5CDK2CCNA2CCNA1KDM4E
SCHEMBL3610608 0.75 CDK1 (0.56) SIRT5CDK2CCNA2CCNA1AURKA
SCHEMBL3609176 0.75 CDK2 (0.49) SIRT5CDK2CCNA2CCNA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SIRT5 2556/4885CDK2 3078/4885CCNA2 2565/4885

“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.