SCHEMBL14224951

SCHEMBL14224951

CCCN1CC[C@@H](NSc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KCNJ1 P48048 3/20 0.44
KCNH2 Q12809 2/20 0.44
SIGMAR1 Q99720 3/20 0.40
HTR2A P28223 2/20 0.40
EPHX2 P34913 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14197892 0.80 HTR7 (0.49) BCHEACHEBACE1LMNAALDH1A1
SCHEMBL1546068 0.77 DRD2 (0.54) LMNAALDH1A1
SCHEMBL1546066 0.77 DRD2 (0.54) LMNAALDH1A1
SCHEMBL20291392 0.74 MAPT (0.58) LMNAALDH1A1GAASMN1; SMN2
SCHEMBL1546206 0.72 DRD4 (0.63) SIGMAR1
SCHEMBL1546203 0.72 DRD4 (0.63) SIGMAR1
SCHEMBL6901785 0.71 MAPT (0.43) LMNAALDH1A1KCNJ1KCNH2GAA
SCHEMBL16391121 0.70 LMNA (0.54) BCHEACHEBACE1LMNAALDH1A1
SCHEMBL16698038 0.70 LMNA (0.50) BCHEACHEBACE1LMNAALDH1A1
SCHEMBL16391093 0.70 LMNA (0.50) BCHEACHEBACE1LMNAALDH1A1

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-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI BCHE 2241/4885ACHE 4034/4885BACE1 2431/4885

“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.